cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5067/aqua/modis/l3b/chl/2014
title: MODIS-Aqua Level 3 Binned Chlorophyll Data Version 2014
DOI: 10.5281/zenodo.10903767
title: Dataset of the manuscript: Efficient removal of nanoplastics from industrial wastewater through synergetic electrophoretic deposition and particle-stabilized foam formation

description: This dataset is based on the data underlying the figures shown in the manuscript titled Efficient removal of nanoplastics from industrial wastewater through synergetic electrophoretic deposition and particle-stabilized foam formation. A readme file is uploaded to decribe the content of all data folders. All data are sorted according to their appearance in the figures of the main manuscript.
DOI: 10.5281/zenodo.8199017
title: data shown in manuscript "WRF-Comfort: Simulating micro-scale variability of outdoor heat stress at the city scale with a mesoscale model"

description: data shown in manuscript "WRF-Comfort: Simulating micro-scale variability of outdoor heat stress at the city scale with a mesoscale model"
DOI: 10.6073/pasta/e323699d2b7ed56ef29357dbdbbb3458
title: North Temperate Lakes LTER: Snow and Ice Depth 1982 - current

description: Snow and ice depth are measured during the winter months on the eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout lakes, unnamed lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Fish, Mendota, Monona and Wingra). Sampling Frequency: every 6 weeks during ice-covered season in the north and typically once during the winter in the south Number of sites: 11
DOI: 10.57967/hf/2059
title: DORIS
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n.1
title: 3-chloro-4-methylbenzaldehyde
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

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/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3, and canonical SMILES descriptor[cheminf_000007]: O=Cc1ccc(c(c1)Cl)C, and by the IUPAC name[cheminf_000107]: 3-chloro-4-methylbenzaldehyde.
 
 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-42623

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 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/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ojfqnfvcicbyqc-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (3-chloro-4-methylbenzaldehyde)
title: InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.15468/dl.er3987
title: Occurrence Download

description: A dataset containing 11129 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Camelina sativa (L.) Crantz"
 ]
}

 The dataset includes 11129 records from 483 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012685-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/8867924
title: ⏳ endoflife.date database (duckdb)
DOI: 10.34740/kaggle/dsv/8867939
title: AutoXGB
DOI: 10.34740/kaggle/dsv/8867941
title: OnlineFree
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0000596.2
title: distortionless enhancement with polarization transfer (DEPT) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n.2
title: 4-bromo-2-naphthalenol
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

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/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H, and canonical SMILES descriptor[cheminf_000007]: Oc1cc2ccccc2c(c1)Br, and by the IUPAC name[cheminf_000107]: 4-bromonaphthalen-2-ol.
 
 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-42631

 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 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/pqnqmymguxgwtg-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/pqnqmymguxgwtg-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-bromonaphthalen-2-ol)
title: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.3mm4tg
title: Occurrence Download

description: A dataset containing 4323 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Camellia oleifera Abel."
 ]
}

 The dataset includes 4323 records from 79 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012686-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5519/qd.4l11mkte
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (88 records)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zwusbshbffprne-uhfffaoysa-n.1
title: 3,4-dichlorobenzaldehyde
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

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/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H, and canonical SMILES descriptor[cheminf_000007]: O=Cc1ccc(c(c1)Cl)Cl, and by the IUPAC name[cheminf_000107]: 3,4-dichlorobenzaldehyde.
 
 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-42615

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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/zwusbshbffprne-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3,4-dichlorobenzaldehyde)
title: InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.pmrax9
title: Occurrence Download

description: A dataset containing 5316 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Carallia brachiata (Lour.) Merr."
 ]
}

 The dataset includes 5316 records from 97 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012687-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.25257388
title: Data_and_supporting_data

description: Supporting information for the paper "Assessing the Helium Potential of Variscan Batholiths: Insight From Corsica Island"
DOI: 10.6084/m9.figshare.25257388.v1
title: Data_and_supporting_data

description: Supporting information for the paper "Assessing the Helium Potential of Variscan Batholiths: Insight From Corsica Island"
DOI: 10.15468/dl.2agh79
title: Occurrence Download

description: A dataset containing 121 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "GadmGid is CHN.19_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Polygonum aviculare L."
 ]
}

 The dataset includes 121 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012688-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0000773
title: photoluminescence spectroscopy (PL spectrometry) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for photoluminescence spectroscopy (PL spectrometry)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0001257.1
title: photoluminescence detection (PL detection) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for photoluminescence detection (PL detection)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/yflbbrxhyalvnj-uhfffaoysa-n.1
title: C53H41BCuF4N5O2P2
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/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/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F.COc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2.[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-21798

 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:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000156 | X-ray diffraction (XRD)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001257 | photoluminescence detection (PL detection)
 
 CHMO:0000773 | photoluminescence spectroscopy (PL spectrometry)
 
 CHMO:0001257 | photoluminescence detection (PL detection)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/yflbbrxhyalvnj-uhfffaoysa-n/chmo0001257
title: photoluminescence detection (PL detection) ()
title: InChI=1S/C36H28OP2.C17H13N5O.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17;2-1(3,4)5;/h1-28H;2-11H,1H3;;/q;;-1;+1

description: dataset for photoluminescence detection (PL detection)
DOI: 10.14272/jcebwprfnzharz-uhfffaoysa-n/chmo0002915
title: absorption of radiation ()
title: InChI=1S/C36H28OP2.C18H16N6.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23(2)14-9-7-13(8-10-14)17-12-24(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18;2-1(3,4)5;/h1-28H;3-12H,1-2H3;;/q;;-1;+1

description: dataset for absorption of radiation
DOI: 10.14272/jcebwprfnzharz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H28OP2.C18H16N6.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-23(2)14-9-7-13(8-10-14)17-12-24(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18;2-1(3,4)5;/h1-28H;3-12H,1-2H3;;/q;;-1;+1

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