cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/xkejiohenqhdth-uhfffaoysa-n.1
title: [2]paracyclo[2]-2-methyl(1,7)carbazolophane
title: InChI=1S/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3

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/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c3c1CCc1ccc(cc1)CCc1cc([nH]3)c2cc1, 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-38556

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 199.0 - 203.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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/xkejiohenqhdth-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/xkejiohenqhdth-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xkejiohenqhdth-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/xkejiohenqhdth-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C23H21N/c1-15-2-11-21-20-13-10-18-8-7-16-3-5-17(6-4-16)9-12-19(15)23(21)24-22(20)14-18/h2-6,10-11,13-14,24H,7-9,12H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/bxffvcjwqloyta-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/bxffvcjwqloyta-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/iqxkmrycdbcnjh-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/bxffvcjwqloyta-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/bxffvcjwqloyta-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/iqxkmrycdbcnjh-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/iqxkmrycdbcnjh-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/bxffvcjwqloyta-uhfffaoysa-n.1
title: [2]Paracyclo[2]-3-isopropyl(1,7)carbazolophane
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

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/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CC(c1cc2CCc3ccc(cc3)CCc3ccc4c(c1)c2[nH]c4c3)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-36285

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 160.0 - 166.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000591 | nuclear magnetic resonance spectroscopy (NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (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/bxffvcjwqloyta-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C25H25N/c1-16(2)21-14-20-11-9-18-5-3-17(4-6-18)7-8-19-10-12-22-23(15-21)25(20)26-24(22)13-19/h3-6,10,12-16,26H,7-9,11H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/iqxkmrycdbcnjh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/iqxkmrycdbcnjh-uhfffaoysa-n.1
title: [2]Paracyclo[2]-6-isopropyl(1,4)carbazolophane
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

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/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CC(c1ccc2c(c1)c1c3ccc(c1[nH]2)CCc1ccc(CC3)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-36290

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 195.0 - 200.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000591 | nuclear magnetic resonance spectroscopy (NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (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/iqxkmrycdbcnjh-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C25H25N/c1-16(2)21-13-14-23-22(15-21)24-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)25(24)26-23/h3-6,11-16,26H,7-10H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/jnwybpkmhrwmkb-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/jnwybpkmhrwmkb-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/jnwybpkmhrwmkb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jnwybpkmhrwmkb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zkfgimfkmltaeg-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/zkfgimfkmltaeg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/zkfgimfkmltaeg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zkfgimfkmltaeg-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/zkfgimfkmltaeg-uhfffaoysa-n.1
title: [2]Paracyclo[2]-3-methyl(1,7)carbazolophane
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

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/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc2CCc3ccc(cc3)CCc3ccc4c(c1)c2[nH]c4c3, 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-37855

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 200.0 - 204.0 (°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:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 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/zkfgimfkmltaeg-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C23H21N/c1-15-12-19-10-8-17-4-2-16(3-5-17)6-7-18-9-11-20-21(13-15)23(19)24-22(20)14-18/h2-5,9,11-14,24H,6-8,10H2,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/jnwybpkmhrwmkb-uhfffaoysa-n.1
title: [2]paracyclo[2]-6-methyl(1,4)carbazolophane
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

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/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(c1)c1c3ccc(c1[nH]2)CCc1ccc(CC3)cc1, 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-37861

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 206.0 - 210.0 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (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/jnwybpkmhrwmkb-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C23H21N/c1-15-2-13-21-20(14-15)22-18-9-7-16-3-5-17(6-4-16)8-10-19(12-11-18)23(22)24-21/h2-6,11-14,24H,7-10H2,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/jhkwamlrtsxgog-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine)
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/jhkwamlrtsxgog-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine)
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jhkwamlrtsxgog-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine)
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/jhkwamlrtsxgog-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine)
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jhkwamlrtsxgog-uhfffaoysa-n.1
title: 4-N-(4-nitrophenyl)amino[2.2]paracyclophane
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

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/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2)cc3, and by the IUPAC name[cheminf_000107]: N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine.
 
 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-37799

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 187.0 - 190.0 (°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:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H 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/jhkwamlrtsxgog-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (N-(4-nitrophenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine)
title: InChI=1S/C22H20N2O2/c25-24(26)21-13-11-20(12-14-21)23-22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15,23H,5-7,9H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.15468/dl.e7ngbt
title: Occurrence Download

description: A dataset containing 30934 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Candaciidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 30934 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018944-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.