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

*Links on SpectraBase are not permalinks.
5-(Cyanolthio)-1,1,1-trichloro-4-methoxy-3-hexen-2-one
SpectraBase Compound ID FR56d9IQJTV
InChI InChI=1S/C8H8Cl3NO2S/c1-5(15-4-12)6(14-2)3-7(13)8(9,10)11/h3,5H,1-2H3/b6-3-
InChIKey BAFWDBJTHHMRBP-UTCJRWHESA-N
Mol Weight 288.58 g/mol
Molecular Formula C8H8Cl3NO2S
Exact Mass 286.934133 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 7PFb7Fl9j85
Name 5-(Cyanolthio)-1,1,1-trichloro-4-methoxy-3-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8Cl3NO2S
InChI InChI=1S/C8H8Cl3NO2S/c1-5(15-4-12)6(14-2)3-7(13)8(9,10)11/h3,5H,1-2H3/b6-3-
InChIKey BAFWDBJTHHMRBP-UTCJRWHESA-N
Molecular Weight 288.576 g/mol
SMILES C(\C=C\(C(SC#N)C)OC)(C(Cl)(Cl)Cl)=O
SPLASH splash10-001i-0190000000-08e7aadfc890772c52fa
Source of Spectrum SO-0-1963-2
Wiley ID 878766