N,N'-(1,4-phenylene)bis(1-(4-azido-2,3,5,6-tetrafluorophenyl)methanimine)
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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/C20H6F8N8/c21-11-9(12(22)16(26)19(15(11)25)33-35-29)5-31-7-1-2-8(4-3-7)32-6-10-13(23)17(27)20(34-36-30)18(28)14(10)24/h1-6H/b31-5+,32-6+, and canonical SMILES descriptor[cheminf_000007]: Fc1c(/C=N/c2ccc(cc2)/N=C/c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])c(F)c(c(c1F)N=[N+]=[N-])F, 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-33100 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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000480 | electron ionisation mass spectrometry (EI-MS) CHMO:0000498 | high-resolution mass spectrometry (HRMS) 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:
2023-12-05



