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

*Links on SpectraBase are not permalinks.

(phenylthio)acetonitrile

View entire compound with spectra: 6 NMR, 1 FTIR, and 1 MS (GC)

(phenylthio)acetonitrile
SpectraBase Compound ID AgfRoFMdKxd
InChI InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey QMJWPWCKRKHUNY-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4YfSqQReV5v
Name QMJWPWCKRKHUNY-UHFFFAOYSA-N
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey QMJWPWCKRKHUNY-UHFFFAOYSA-N
Literature Reference Author A.ABBOTTO,S.BRADAMANTE,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,58,449(1993)
Literature Reference DOI 10.1021/jo00054a031
Molecular Weight 149.210 g/mol
Solvent DMSO-D6;C=0.5M
Source File Reference UWCS18742