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

*Links on SpectraBase are not permalinks.
3-(3-Oxo-1-cyclohexenyl)-3-(phenylthio)propane nitrile
SpectraBase Compound ID CUjtWwEzlw1
InChI InChI=1S/C15H15NOS/c16-10-9-15(12-5-4-6-13(17)11-12)18-14-7-2-1-3-8-14/h1-3,7-8,11,15H,4-6,9H2
InChIKey VNRGJTBDLJQKFQ-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C15H15NOS
Exact Mass 257.087435 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 kQxE7mnqNQ
Name 3-(3-Oxo-1-cyclohexenyl)-3-(phenylthio)propane nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NOS
InChI InChI=1S/C15H15NOS/c16-10-9-15(12-5-4-6-13(17)11-12)18-14-7-2-1-3-8-14/h1-3,7-8,11,15H,4-6,9H2
InChIKey VNRGJTBDLJQKFQ-UHFFFAOYSA-N
Molecular Weight 257.351 g/mol
SMILES C1(=CC(=O)CCC1)C(Sc1ccccc1)CC#N
SPLASH splash10-0n29-9660000000-fe7d5a00b5d0ed088487
Source of Spectrum F-48-2037-10
Synonyms 3-(3-oxo-1-cyclohexen-1-yl)-3-(phenylsulfanyl)propanenitrile
Wiley ID 1260833