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

*Links on SpectraBase are not permalinks.

5-Cyano-2-phenyl-1-(methylthio)pent-1-ene

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

5-Cyano-2-phenyl-1-(methylthio)pent-1-ene
SpectraBase Compound ID 6bCUPvV9bke
InChI InChI=1S/C13H15NS/c1-15-11-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9H2,1H3/b13-11+
InChIKey RRRUWQZSAUCMRT-ACCUITESSA-N
Mol Weight 217.33 g/mol
Molecular Formula C13H15NS
Exact Mass 217.092521 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2F6WwGJVdDn
Name 5-Cyano-2-phenyl-1-(methylthio)pent-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.092520661 u
Formula C13H15NS
InChI InChI=1S/C13H15NS/c1-15-11-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9H2,1H3/b13-11+
InChIKey RRRUWQZSAUCMRT-ACCUITESSA-N
Molecular Weight 217.330 g/mol
SMILES C(#N)CCC\C(=C/SC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84409