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Methyl (2Z,4E)-2-(Thiocyanatomethyl)hexa-2,4-dienoate
SpectraBase Compound ID G70giwEqlik
InChI InChI=1S/C9H11NO2S/c1-3-4-5-8(6-13-7-10)9(11)12-2/h3-5H,6H2,1-2H3/b4-3+,8-5+
InChIKey BNYJNSDUKVMEEI-SALQQRKASA-N
Mol Weight 197.25 g/mol
Molecular Formula C9H11NO2S
Exact Mass 197.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16PXzxCCvAz
Name Methyl (2Z,4E)-2-(Thiocyanatomethyl)hexa-2,4-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO2S
InChI InChI=1S/C9H11NO2S/c1-3-4-5-8(6-13-7-10)9(11)12-2/h3-5H,6H2,1-2H3/b4-3+,8-5+
InChIKey BNYJNSDUKVMEEI-SALQQRKASA-N
Molecular Weight 197.252 g/mol
SMILES C(\C(=C\C=C\C)CSC#N)(=O)OC
SPLASH splash10-0f92-4900000000-e9541406ade99ff5b597
Source of Spectrum F4-0-2775-2
Synonyms Methyl (2Z,4E)-2-[(cyanosulfanyl)methyl]-2,4-hexadienoate
Wiley ID 1620331