cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hipsqnmtybdykc-uhfffaoysa-n.1
title: N(QuMe)2(PhDMEG)
title: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1cccc2c1nc(C)cc2)c1ccccc1N=C1N(C)CCN1C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46523

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/hipsqnmtybdykc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.4121/dae61d9b-d079-4959-868e-591b7de1b7f6.v2
title: Data from Field Experiments on Sea Ice Restoration by Artificial Flooding

description: Field experiments were conducted in the Vallunden lake on Spitzbergen. Snow-covered first-year sea ice was artificially flooded to investigate geophysical effects during the pumping of snow-covered first-year sea ice, the growth of snow ice and melting of snow ice and congelation ice layer.<br>The data was collected by application of four SAMS Enterprise Snow and Ice Mass Balance Apparatuses (SIMBAs), two radiometers, and one anemometer for a longest period between 21.03.2024-24.06.2024.<br>A full description of the data and experimental design has been submitted to Data in Brief. Metadata of this dataset will be updated once this becomes publicly available. For questions about the data contact Tim C. Hammer (t.c.hammer@tudelft.nl).
DOI: 10.14272/hrwawkrlkszsdc-uhfffaoysa-n.1
title: [Cu(I)(DMEG3trphen)]PF6
title: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.CN1CCN(C1=Nc1ccccc1N(c1ccccc1N=C1N(C)CCN1C)c1ccccc1N=C1N(C)CCN1C)C.[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46517

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/hrwawkrlkszsdc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1

description: dataset for mass spectrometry (MS)
DOI: 10.14272/hrwawkrlkszsdc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hrwawkrlkszsdc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/hrwawkrlkszsdc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C33H42N10.Cu.F6P/c1-37-19-20-38(2)31(37)34-25-13-7-10-16-28(25)43(29-17-11-8-14-26(29)35-32-39(3)21-22-40(32)4)30-18-12-9-15-27(30)36-33-41(5)23-24-42(33)6;;1-7(2,3,4,5)6/h7-18H,19-24H2,1-6H3;;/q;+1;-1

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pdtoexkelgtftm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1

description: dataset for mass spectrometry (MS)
DOI: 10.14272/pdtoexkelgtftm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/pdtoexkelgtftm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pdtoexkelgtftm-uhfffaoysa-n.1
title: [Cu{N(QuMe)2(PhTMG)}]PF6
title: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.Cc1ccc2c(n1)c(ccc2)N(c1cccc2c1nc(C)cc2)c1ccccc1N=C(N(C)C)N(C)C.[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46511

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/pdtoexkelgtftm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H32N6.Cu.F6P/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6;;1-7(2,3,4,5)6/h7-20H,1-6H3;;/q;+1;-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/paowsfnlgozdcq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/paowsfnlgozdcq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/paowsfnlgozdcq-uhfffaoysa-n.1
title: N(PhTMG)(QuMe)2
title: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1cccc2c1nc(C)cc2)c1ccccc1N=C(N(C)C)N(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46505

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/paowsfnlgozdcq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/paowsfnlgozdcq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H32N6/c1-21-17-19-23-11-9-15-27(29(23)32-21)37(28-16-10-12-24-20-18-22(2)33-30(24)28)26-14-8-7-13-25(26)34-31(35(3)4)36(5)6/h7-20H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.wd5uqf
title: Occurrence Download

description: A dataset containing 501 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Callionymus filamentosus Valenciennes, 1837"
 ]
}

 The dataset includes 501 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016301-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ihtuapvagnybka-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ihtuapvagnybka-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ihtuapvagnybka-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ihtuapvagnybka-uhfffaoysa-n.1
title: N(QuMe)(PhDMEG)2
title: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1ccccc1N=C1N(C)CCN1C)c1ccccc1N=C1N(C)CCN1C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46499

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/ihtuapvagnybka-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C32H36N8/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5/h6-18H,19-22H2,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/aiartbvdfcficj-uhfffaoysa-n.1
title: [Cu(TMG3trphen)]PF6
title: InChI=1S/C33H48N10.Cu.F6P/c1-37(2)31(38(3)4)34-25-19-13-16-22-28(25)43(29-23-17-14-20-26(29)35-32(39(5)6)40(7)8)30-24-18-15-21-27(30)36-33(41(9)10)42(11)12;;1-7(2,3,4,5)6/h13-24H,1-12H3;;/q;+1;-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C33H48N10.Cu.F6P/c1-37(2)31(38(3)4)34-25-19-13-16-22-28(25)43(29-23-17-14-20-26(29)35-32(39(5)6)40(7)8)30-24-18-15-21-27(30)36-33(41(9)10)42(11)12;;1-7(2,3,4,5)6/h13-24H,1-12H3;;/q;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.CN(C(=Nc1ccccc1N(c1ccccc1N=C(N(C)C)N(C)C)c1ccccc1N=C(N(C)C)N(C)C)N(C)C)C.[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46493

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/aiartbvdfcficj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H48N10.Cu.F6P/c1-37(2)31(38(3)4)34-25-19-13-16-22-28(25)43(29-23-17-14-20-26(29)35-32(39(5)6)40(7)8)30-24-18-15-21-27(30)36-33(41(9)10)42(11)12;;1-7(2,3,4,5)6/h13-24H,1-12H3;;/q;+1;-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kufpgszaomthbm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H36N8.Cu.F6P/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5;;1-7(2,3,4,5)6/h6-18H,19-22H2,1-5H3;;/q;+1;-1

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.34740/kaggle/dsv/9913936
title: World Weather Repository ( Daily Updating )
DOI: 10.14272/kufpgszaomthbm-uhfffaoysa-n.1
title: [Cu(I){N(QuMe)(PhDMEG)2}]PF6
title: InChI=1S/C32H36N8.Cu.F6P/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5;;1-7(2,3,4,5)6/h6-18H,19-22H2,1-5H3;;/q;+1;-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C32H36N8.Cu.F6P/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5;;1-7(2,3,4,5)6/h6-18H,19-22H2,1-5H3;;/q;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.Cc1ccc2c(n1)c(ccc2)N(c1ccccc1N=C1N(C)CCN1C)c1ccccc1N=C1N(C)CCN1C.[Cu+], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46490

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/kufpgszaomthbm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C32H36N8.Cu.F6P/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5;;1-7(2,3,4,5)6/h6-18H,19-22H2,1-5H3;;/q;+1;-1

description: dataset for mass spectrometry (MS)
DOI: 10.14272/kufpgszaomthbm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H36N8.Cu.F6P/c1-23-17-18-24-11-10-16-29(30(24)33-23)40(27-14-8-6-12-25(27)34-31-36(2)19-20-37(31)3)28-15-9-7-13-26(28)35-32-38(4)21-22-39(32)5;;1-7(2,3,4,5)6/h6-18H,19-22H2,1-5H3;;/q;+1;-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)