For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Benzoyl-2-cyano-1-butenyl methyl sulfide
SpectraBase Compound ID LroTHrKDxN1
InChI InChI=1S/C13H13NOS/c1-3-10(9-14)13(16-2)12(15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b13-10+
InChIKey WPHSPKZMPKEVIA-JLHYYAGUSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2BfkdcgAJXY
Name 1-Benzoyl-2-cyano-1-butenyl methyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c1-3-10(9-14)13(16-2)12(15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b13-10+
InChIKey WPHSPKZMPKEVIA-JLHYYAGUSA-N
Molecular Weight 231.313 g/mol
SMILES C(\C(=C/(C#N)CC)SC)(=O)c1ccccc1
SPLASH splash10-0a4i-6940000000-5c065169a4531c078428
Source of Spectrum AJ-67-1497-5
Synonyms (2E)-2-ethyl-3-(methylsulfanyl)-4-oxo-4-phenyl-2-butenenitrile
Wiley ID 772601