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2-Cyano-1-propionyl-1-hexyenyl methyl sulfide
SpectraBase Compound ID 7l06Za93smR
InChI InChI=1S/C11H17NOS/c1-4-6-7-9(8-12)11(14-3)10(13)5-2/h4-7H2,1-3H3/b11-9-
InChIKey AUHHDJXCRLPDAX-LUAWRHEFSA-N
Mol Weight 211.32 g/mol
Molecular Formula C11H17NOS
Exact Mass 211.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2YSkm6rQbD
Name 2-Cyano-1-propionyl-1-hexyenyl methyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NOS
InChI InChI=1S/C11H17NOS/c1-4-6-7-9(8-12)11(14-3)10(13)5-2/h4-7H2,1-3H3/b11-9-
InChIKey AUHHDJXCRLPDAX-LUAWRHEFSA-N
Molecular Weight 211.323 g/mol
SMILES C(\C(=C\(C(=O)CC)SC)CCCC)#N
SPLASH splash10-0a4i-9410000000-5addc100fd43924a3708
Source of Spectrum AJ-67-1497-5
Synonyms (2Z)-2-butyl-3-(methylsulfanyl)-4-oxo-2-hexenenitrile (Z)-2-butyl-3-(methylthio)-4-oxo-2-hexenenitrile (Z)-2-butyl-3-methylsulfanyl-4-oxohex-2-enenitrile (Z)-2-butyl-3-methylsulfanyl-4-oxo-hex-2-enenitrile (Z)-2-butyl-3-methylsulfanyl-4-oxidanylidene-hex-2-enenitrile
Wiley ID 772600