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(ethyl (E)-3-(5-((E)-(4-((2- acetoxyethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-3-chloro-4- cyanothiophen-2-yl)-2-cyanoacrylate)
SpectraBase Compound ID E49Q9fUJmC6
InChI InChI=1S/C24H21ClN6O4S/c1-3-34-24(33)17(14-27)13-21-22(25)20(15-28)23(36-21)30-29-18-5-7-19(8-6-18)31(10-4-9-26)11-12-35-16(2)32/h5-8,13H,3-4,10-12H2,1-2H3/b17-13+,30-29+
InChIKey CRAQAPUNBSMAGO-UAAJMXOUSA-N
Mol Weight 524.98 g/mol
Molecular Formula C24H21ClN6O4S
Exact Mass 524.103352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lDaTsJVycR
Name (ethyl (E)-3-(5-((E)-(4-((2- acetoxyethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-3-chloro-4- cyanothiophen-2-yl)-2-cyanoacrylate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClN6O4S
InChI InChI=1S/C24H21ClN6O4S/c1-3-34-24(33)17(14-27)13-21-22(25)20(15-28)23(36-21)30-29-18-5-7-19(8-6-18)31(10-4-9-26)11-12-35-16(2)32/h5-8,13H,3-4,10-12H2,1-2H3/b17-13+,30-29+
InChIKey CRAQAPUNBSMAGO-UAAJMXOUSA-N
Molecular Weight 524.983 g/mol
SMILES C(\C(=C\c1c(c(c(s1)\N=N\c1ccc(cc1)N(CCC#N)CCOC(=O)C)C#N)Cl)C#N)(=O)OCC
SPLASH splash10-0fe1-3326910000-ae37e7343b113997a8aa
Source of Spectrum Dan Xu, et al. Dyes and Pigments, V.133, 2016, P.143-152
Synonyms Ethyl (E)-3-(5-((E)-(4-((2-acetoxyethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-3-chloro-4-cyanothiophen-2-yl)-2-cyanoacrylate
Wiley ID 1816504