cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n.1
title: 12-bromo-3,6-bis(9,9-dimethylacridin-10(9H)-yl)dibenzo[f,h]pyrido[2,3-b]quinoxaline
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

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/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: Brc1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)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-45670

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 338.0 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/bvkrgulqawqnaw-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n.1
title: 3,6-bis(9,9-dimethylacridin-10(9H)-yl)dibenzo[f,h]pyrido[2,3-b]quinoxaline
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

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/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ncccc2n1)N1c2ccccc2C(c2c1cccc2)(C)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-45975

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 290.0 (°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:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 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: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/yugqzlirqprkqh-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n.2
title: 3,6-bis(9,9-dimethylacridin-10(9H)-yl)phenanthrene-9,10-dione
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

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/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: O=C1C(=O)c2ccc(cc2-c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)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-45659

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 273.0 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 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:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/kfwfiyqioksgql-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.15468/dl.hes9y2
title: Occurrence Download

description: A dataset containing 701 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Zanthoxylum coco Gillies ex Hook. & Arn."
 ]
}

 The dataset includes 701 records from 55 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033016-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8ubuj3
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is one of (Primulina lianchengensis B.J.Ye & S.P.Chen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033017-241107131044228/datasets/export for details.
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yawjspvihvbbhi-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)