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(2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoic acid ethyl ester
SpectraBase Compound ID KuXgCaVogrZ
InChI InChI=1S/C12H14N2O2S/c1-4-11(17-8-14)9(3)6-10(7-13)12(15)16-5-2/h6H,4-5H2,1-3H3/b10-6+,11-9-
InChIKey QNMBUXZTKNTJQV-QCOLZXCRSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vszUYDYl8H
Name (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoic acid ethyl ester
CAS Registry Number 111278-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-4-11(17-8-14)9(3)6-10(7-13)12(15)16-5-2/h6H,4-5H2,1-3H3/b10-6+,11-9-
InChIKey QNMBUXZTKNTJQV-QCOLZXCRSA-N
Molecular Weight 250.316 g/mol
SMILES C(S\C(=C/(\C=C\(C(=O)OCC)C#N)C)CC)#N
SPLASH splash10-03di-1900000000-219ebde9e8fc7d512060
Source of Spectrum O-22-129-2
Synonyms Ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoate Ethyl (2E,4Z)-2-cyano-5-(cyanosulfanyl)-4-methyl-2,4-heptadienoate Ethyl 2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoate (2E,4Z)-2-cyano-4-methyl-5-thiocyanatohepta-2,4-dienoic acid ethyl ester
Wiley ID 1252950