cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/fxbsvqlxpfjqad-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/fxbsvqlxpfjqad-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/fxbsvqlxpfjqad-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/fxbsvqlxpfjqad-uhfffaoysa-n.2
title: spiro[fluorene-9,15'-indeno[1,2-b]quinolino[1,2,3-fg]acridine]-5',9'-dione
title: InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H

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/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H, and canonical SMILES descriptor[cheminf_000007]: O=c1c2cc3-c4ccccc4C4(c3cc2n2c3c1cccc3c(=O)c1c2cccc1)c1ccccc1-c1c4cccc1, 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-42640

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 224.0 (°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:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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/fxbsvqlxpfjqad-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n.2
title: 7'-(9,9'-spirobi[fluoren]-2-yl)spiro[fluorene-9,15'-indeno[1,2-b]quinolino[1,2,3-fg]acridine]-5',9'-dione
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

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/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H, and canonical SMILES descriptor[cheminf_000007]: O=c1c2cc(cc3c2n(c2c1cccc2)c1c(c3=O)cc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3, 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-42607

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 244.0 (°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:0002399 | 1H--13C heteronuclear multiple quantum coherence (13C-1H HMQC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000636 | Fourier transform infrared spectroscopy (FTIR)
 
 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/idhlbqtysidcbk-uhfffaoysa-n/chmo0002399
title: 1H--13C heteronuclear multiple quantum coherence (13C-1H HMQC) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for 1H--13C heteronuclear multiple quantum coherence (13C-1H HMQC)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/idhlbqtysidcbk-uhfffaoysa-n/chmo0000636
title: Fourier transform infrared spectroscopy (FTIR) ()
title: InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H

description: dataset for Fourier transform infrared spectroscopy (FTIR)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n.1
title: 7'-bromospiro[fluorene-9,15'-indeno[1,2-b]quinolino[1,2,3-fg]acridine]-5',9'-dione
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

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/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H, and canonical SMILES descriptor[cheminf_000007]: Brc1cc2c(=O)c3cc4-c5ccccc5C5(c4cc3n3c2c(c1)c(=O)c1c3cccc1)c1ccccc1-c1c5cccc1, 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-35640

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 227.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/fmhmnqvrexahoy-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/fmhmnqvrexahoy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H20BrNO2/c40-21-17-28-36-29(18-21)38(43)27-19-26-24-11-3-7-15-32(24)39(30-13-5-1-9-22(30)23-10-2-6-14-31(23)39)33(26)20-35(27)41(36)34-16-8-4-12-25(34)37(28)42/h1-20H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n.1
title: N-phenyl-9,9'-spirobi[fluorene]-2-amine
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

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/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)Nc1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3, and by the IUPAC name[cheminf_000107]: N-phenyl-9,9'-spirobi[fluorene]-2-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-34474

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 97.0 (°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:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000482 | electrospray ionisation mass spectrometry (ESMS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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/bpfluerwrvodew-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0000482
title: electrospray ionisation mass spectrometry (ESMS) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for electrospray ionisation mass spectrometry (ESMS)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bpfluerwrvodew-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (N-phenyl-9,9'-spirobi[fluorene]-2-amine)
title: InChI=1S/C31H21N/c1-2-10-21(11-3-1)32-22-18-19-26-25-14-6-9-17-29(25)31(30(26)20-22)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20,32H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/rpnhuumddojtnf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C57H42N2O8/c1-64-53(60)43-23-15-24-44(54(61)65-2)51(43)58(35-17-7-5-8-18-35)37-29-31-41-42-32-30-38(34-50(42)57(49(41)33-37)47-27-13-11-21-39(47)40-22-12-14-28-48(40)57)59(36-19-9-6-10-20-36)52-45(55(62)66-3)25-16-26-46(52)56(63)67-4/h5-34H,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/rpnhuumddojtnf-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C57H42N2O8/c1-64-53(60)43-23-15-24-44(54(61)65-2)51(43)58(35-17-7-5-8-18-35)37-29-31-41-42-32-30-38(34-50(42)57(49(41)33-37)47-27-13-11-21-39(47)40-22-12-14-28-48(40)57)59(36-19-9-6-10-20-36)52-45(55(62)66-3)25-16-26-46(52)56(63)67-4/h5-34H,1-4H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/rpnhuumddojtnf-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C57H42N2O8/c1-64-53(60)43-23-15-24-44(54(61)65-2)51(43)58(35-17-7-5-8-18-35)37-29-31-41-42-32-30-38(34-50(42)57(49(41)33-37)47-27-13-11-21-39(47)40-22-12-14-28-48(40)57)59(36-19-9-6-10-20-36)52-45(55(62)66-3)25-16-26-46(52)56(63)67-4/h5-34H,1-4H3

description: dataset for high-resolution mass spectrometry (HRMS)