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Ethyl (2E,4Z)-2-cyano-5-(cyanosulfanyl)-4-methyl-2,4-hexadienoate
SpectraBase Compound ID z27gN6iaT7
InChI InChI=1S/C11H12N2O2S/c1-4-15-11(14)10(6-12)5-8(2)9(3)16-7-13/h5H,4H2,1-3H3/b9-8-,10-5+
InChIKey JFJUZRMVIYJJQU-JMJQRBITSA-N
Mol Weight 236.29 g/mol
Molecular Formula C11H12N2O2S
Exact Mass 236.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdAmZDVBzlL
Name Ethyl (2E,4Z)-2-cyano-5-(cyanosulfanyl)-4-methyl-2,4-hexadienoate
CAS Registry Number 111278-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O2S
InChI InChI=1S/C11H12N2O2S/c1-4-15-11(14)10(6-12)5-8(2)9(3)16-7-13/h5H,4H2,1-3H3/b9-8-,10-5+
InChIKey JFJUZRMVIYJJQU-JMJQRBITSA-N
Molecular Weight 236.289 g/mol
SMILES C(S\C(=C/(\C=C\(C(=O)OCC)C#N)C)C)#N
SPLASH splash10-0fb9-0910000000-41d876782cf5c48e475b
Source of Spectrum O-22-130-0
Synonyms (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hexa-2,4-dienoic acid ethyl ester 2-Cyano-4-methyl-5-thiocyanatohexa-2,4-dienoic acid ethyl ester Ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hexa-2,4-dienoate Ethyl 2-cyano-4-methyl-5-thiocyanato-hexa-2,4-dienoate (2E,4Z)-2-cyano-4-methyl-5-thiocyanatohexa-2,4-dienoic acid ethyl ester
Wiley ID 1237736