[2-(4-Butyl-1H-1,2,3-triazol-1-yl)quinoxaline]silver triflate
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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=1B/2C14H15N5.CHF3O3S.2Ag/c2*1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14;2-1(3,4)8(5,6)7;;/h2*4-5,7-10H,2-3,6H2,1H3;(H,5,6,7);;/q;;;2*+1/p-1/z200-1-48, and canonical SMILES descriptor[cheminf_000007]: FC(S(=O)(=O)[O-])(F)F.CCCCc1nnn(c1)c1cnc2c(n1)cccc2.CCCCc1nnn(c1)c1cnc2c(n1)cccc2.[Ag+].[Ag+], 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-33233
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:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)
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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F 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
提供机构:
chemotion-repository
创建时间:
2024-04-29



