(rac)-N-([2.2]paracyclophanyl)benzophenone hydrazone
收藏DataCite Commons2024-05-21 更新2025-04-09 收录
下载链接:
https://www.chemotion-repository.net/inchikey/ZTYGGDYWDPKPHR-UHFFFAOYSA-N.1
下载链接
链接失效反馈官方服务:
资源简介:
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/C29H26N2/c1-3-7-26(8-4-1)29(27-9-5-2-6-10-27)31-30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21,30H,15-17,19H2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)C(=NNc1cc2ccc1CCc1ccc(CC2)cc1)c1ccccc1, and by the IUPAC name[cheminf_000107]: N-(benzhydrylideneamino)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-40008
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 157.7 - 170.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000599 | correlation spectroscopy (COSY)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
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
提供机构:
chemotion-repository
创建时间:
2024-05-21



