cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h.1
title: (rac)-12-(2,3-dimethylcycloprop-2-en-1-yl)-[2.2]paracyclophane hexachloroantimonate
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

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/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6, and canonical SMILES descriptor[cheminf_000007]: Cl[Sb](Cl)(Cl)(Cl)Cl.CC1=C([C+]1c1cc2CCc3ccc(CCc1cc2)cc3)C.[Cl-], 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-59052

 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:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/vmjwtlfnganxel-uhfffaoysa-h/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/vmjwtlfnganxel-uhfffaoysa-h/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H21.6ClH.Sb/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18;;;;;;;/h3-6,10,12-13H,7-9,11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.eumqq4
title: Occurrence Download

description: A dataset containing 141 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Importancia del Parque Estatal Cerro de la Tortuga para la conservación de los mamíferos del estado de Morelos, México"
 ]
}

 The dataset includes 141 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000276-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.87uqmn
title: Occurrence Download

description: A dataset containing 597 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "Country is one of (United States of America, Canada, Mexico)",
 "Year is greater than or equal to 1990",
 "TaxonKey is Atriplex argentea"
 ]
}

 The dataset includes 597 records from 65 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000275-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mtdtjs
title: Occurrence Download

description: A dataset containing 110 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (CAN.11.65_1, CAN.10_1, CAN.4_1, CAN.7_1, CAN.5_1)",
 "OccurrenceStatus is Present",
 "TaxonKey is Myriophyllum spicatum"
 ]
}

 The dataset includes 110 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000277-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z9afd7
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "PublishingOrg is a41250f0-7c3e-11d8-a19c-b8a03c50a862",
 "TaxonKey is Janthina"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000274-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n.1
title: (rac)-12-(2-ethyl-3-methylcycloprop-2-en-1-yl)-[2.2]paracyclophane
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

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/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCC1=C(C1c1cc2ccc1CCc1ccc(CC2)cc1)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-58931

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 78.4 (°C)
 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/lpwyccdkpwmpnd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H24/c1-3-20-15(2)22(20)21-14-18-9-8-16-4-6-17(7-5-16)10-12-19(21)13-11-18/h4-7,11,13-14,22H,3,8-10,12H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ntbfmjqlmalanj-uhfffaoysa-h.1
title: (rac)-12-(2,3-dibutylcycloprop-2-en-1-yl)-[2.2]paracyclophane hexachloroantimonate
title: InChI=1S/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6

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/C27H33.6ClH.Sb/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22;;;;;;;/h9-12,16,18-19H,3-8,13-15,17H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6, and canonical SMILES descriptor[cheminf_000007]: Cl[Sb](Cl)(Cl)(Cl)Cl.CCCCC1=C([C+]1c1cc2ccc1CCc1ccc(CC2)cc1)CCCC.[Cl-], 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-58410

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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: 10.6084/m9.figshare.31100389
title: WEEK 14 data

description: Demand amounts
DOI: 10.6084/m9.figshare.31100389.v1
title: WEEK 14 data

description: Demand amounts
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n.1
title: (rac)-12-(2,3-dibutylcycloprop-2-en-1-yl)-[2.2]paracyclophane
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

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/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCCCC1=C(C1c1cc2ccc1CCc1ccc(CC2)cc1)CCCC, 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-58339

 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:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/yvpbhociehqvge-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yvpbhociehqvge-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C27H34/c1-3-5-7-24-25(8-6-4-2)27(24)26-19-22-14-13-20-9-11-21(12-10-20)15-17-23(26)18-16-22/h9-12,16,18-19,27H,3-8,13-15,17H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)