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

*Links on SpectraBase are not permalinks.
3-Cyclohexene-1-carbonitrile, 4-methoxy-5-(phenylthio)-, trans-
SpectraBase Compound ID 5khOc8IJzbv
InChI InChI=1S/C14H15NOS/c1-16-13-8-7-11(10-15)9-14(13)17-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9H2,1H3/t11-,14+/m0/s1
InChIKey LNKQGEDZLRUYBW-SMDDNHRTSA-N
Mol Weight 245.34 g/mol
Molecular Formula C14H15NOS
Exact Mass 245.087435 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 BSoVeTmkwkF
Name 3-Cyclohexene-1-carbonitrile, 4-methoxy-5-(phenylthio)-, trans-
CAS Registry Number 67315-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NOS
InChI InChI=1S/C14H15NOS/c1-16-13-8-7-11(10-15)9-14(13)17-12-5-3-2-4-6-12/h2-6,8,11,14H,7,9H2,1H3/t11-,14+/m0/s1
InChIKey LNKQGEDZLRUYBW-SMDDNHRTSA-N
Molecular Weight 245.340 g/mol
SMILES [C@]1(C(=CC[C@](C#N)(C1)[H])OC)(Sc1ccccc1)[H]
SPLASH splash10-000i-0930000000-3d28609015464ca4e6f8
Source of Spectrum J-43-4056-0
Synonyms (1S,5R)-4-methoxy-5-(phenylsulfanyl)-3-cyclohexene-1-carbonitrile trans-4-methoxy-5-(phenylthio)-3-cyclohexene-1-carbonitrile
Wiley ID 1247973