For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2-((4-((E)-(4-chloro-3-cyano-5- ((E)-((2,3-dimethylphenyl)imino)methyl)thiophen-2-yl)diazenyl) phenyl)(2-cyanoethyl)amino)ethyl acetate)
SpectraBase Compound ID CvWjOz0VM5U
InChI InChI=1S/C27H25ClN6O2S/c1-18-6-4-7-24(19(18)2)31-17-25-26(28)23(16-30)27(37-25)33-32-21-8-10-22(11-9-21)34(13-5-12-29)14-15-36-20(3)35/h4,6-11,17H,5,13-15H2,1-3H3/b31-17+,33-32+
InChIKey KSIZAKZTUPJOGV-ARWKGFMTSA-N
Mol Weight 533.05 g/mol
Molecular Formula C27H25ClN6O2S
Exact Mass 532.144823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ha6hTbn60
Name (2-((4-((E)-(4-chloro-3-cyano-5- ((E)-((2,3-dimethylphenyl)imino)methyl)thiophen-2-yl)diazenyl) phenyl)(2-cyanoethyl)amino)ethyl acetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25ClN6O2S
InChI InChI=1S/C27H25ClN6O2S/c1-18-6-4-7-24(19(18)2)31-17-25-26(28)23(16-30)27(37-25)33-32-21-8-10-22(11-9-21)34(13-5-12-29)14-15-36-20(3)35/h4,6-11,17H,5,13-15H2,1-3H3/b31-17+,33-32+
InChIKey KSIZAKZTUPJOGV-ARWKGFMTSA-N
Molecular Weight 533.050 g/mol
SMILES C(C)(=O)OCCN(CCC#N)c1ccc(cc1)\N=N\c1c(c(c(s1)\C=N\c1c(c(ccc1)C)C)Cl)C#N
SPLASH splash10-056r-0421920000-e60cb272e34fa379db1a
Source of Spectrum Dan Xu, et al. Dyes and Pigments, V.133, 2016, P.143-152
Synonyms 2-((4-((E)-(4-chloro-3-cyano-5-((E)-((2,3-dimethylphenyl)imino)methyl)thiophen-2-yl)diazenyl)phenyl)(2-cyanoethyl)amino)ethyl acetate
Wiley ID 1816501