cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/ajvztlnaqxlvpb-njdsbkizsa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H26N2/c1(23-13-17-31-18-14-23)11-29-21-25-3-7-27(29)9-5-26-4-8-28(10-6-25)30(22-26)12-2-24-15-19-32-20-16-24/h1-4,7-8,11-22H,5-6,9-10H2/b11-1+,12-2+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ajvztlnaqxlvpb-njdsbkizsa-n.2
title: 4,16-Di(4'-pyridyl-(E)-vinyl[2.2]paracyclophane
title: InChI=1S/C30H26N2/c1(23-13-17-31-18-14-23)11-29-21-25-3-7-27(29)9-5-26-4-8-28(10-6-25)30(22-26)12-2-24-15-19-32-20-16-24/h1-4,7-8,11-22H,5-6,9-10H2/b11-1+,12-2+

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/C30H26N2/c1(23-13-17-31-18-14-23)11-29-21-25-3-7-27(29)9-5-26-4-8-28(10-6-25)30(22-26)12-2-24-15-19-32-20-16-24/h1-4,7-8,11-22H,5-6,9-10H2/b11-1+,12-2+, and canonical SMILES descriptor[cheminf_000007]: n1ccc(cc1)/C=C/c1cc2CCc3ccc(CCc1cc2)cc3/C=C/c1ccncc1, 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-25449

 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/ajvztlnaqxlvpb-njdsbkizsa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H26N2/c1(23-13-17-31-18-14-23)11-29-21-25-3-7-27(29)9-5-26-4-8-28(10-6-25)30(22-26)12-2-24-15-19-32-20-16-24/h1-4,7-8,11-22H,5-6,9-10H2/b11-1+,12-2+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.zus8n2
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Occurrence evidence)",
 "Continent is Asia",
 "Country is one of (China, Hong Kong, Macao)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Opisthotropis laui Yang, Sung & Chan, 2013"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018934-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/jopkleirdaalpy-uhfffaoysa-k/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/jopkleirdaalpy-uhfffaoysa-k/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jopkleirdaalpy-uhfffaoysa-k.1
title: 4,7,12-Tri(N-methyl-4'-pyridinium)[2.2]paracyclophane iodide
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

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/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2c1cc[n+](cc1)C)c(c3)c1cc[n+](cc1)C.[I-].[I-].[I-], 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-25387

 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)
 
 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/jopkleirdaalpy-uhfffaoysa-k/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jopkleirdaalpy-uhfffaoysa-k/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jopkleirdaalpy-uhfffaoysa-k/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/nbcovcgbturkld-ikeuxfgvsa-j/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/nbcovcgbturkld-ikeuxfgvsa-j/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;

description: dataset for mass spectrometry (MS)
DOI: 10.14272/nbcovcgbturkld-ikeuxfgvsa-j/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/nbcovcgbturkld-ikeuxfgvsa-j.1
title: 4,7,12,15-tetra((E)-vinyl-N-methyl-4'pyridinium[2.2]paracyclophane iodide
title: InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;

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/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cc[n+](cc1)C)cc3/C=C/c1cc[n+](cc1)C)/C=C/c1cc[n+](cc1)C.[I-].[I-].[I-].[I-], 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-25369

 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/nbcovcgbturkld-ikeuxfgvsa-j/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C48H48N4.4HI/c1-49-25-17-37(18-26-49)5-9-41-33-46-15-16-48-36-43(11-7-39-21-29-51(3)30-22-39)47(35-44(48)12-8-40-23-31-52(4)32-24-40)14-13-45(41)34-42(46)10-6-38-19-27-50(2)28-20-38;;;;/h5-12,17-36H,13-16H2,1-4H3;4*1H/q+4;;;;/p-4/b9-5+,10-6+,11-7+,12-8+;;;;

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n.2
title: C44H36N4
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

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/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cn1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cccnc1)cc3/C=C/c1cccnc1)/C=C/c1cccnc1, 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-25463

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mrapwjutwdryoq-oknoedmosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mrapwjutwdryoq-oknoedmosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mrapwjutwdryoq-oknoedmosa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.s7m4e7
title: Occurrence Download

description: A dataset containing 93 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Occurrence evidence)",
 "Continent is Asia",
 "Country is one of (China, Hong Kong, Macao)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Opisthotropis andersonii (Boulenger, 1888)"
 ]
}

 The dataset includes 93 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018935-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mrapwjutwdryoq-oknoedmosa-n.1
title: C44H36N4
title: InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+

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/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+, and canonical SMILES descriptor[cheminf_000007]: c1ccc(nc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccccn1)cc3/C=C/c1ccccn1)/C=C/c1ccccn1, 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-25437

 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/mrapwjutwdryoq-oknoedmosa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for mass spectrometry (MS)
DOI: 10.14272/kezsckxkkqrcag-kuwvsjdvsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+

description: dataset for infrared absorption spectroscopy (IR)