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

*Links on SpectraBase are not permalinks.

o-Ethyl (2E)-3-phenylpent-2-enethioate

View entire compound with spectra: 1 FTIR

o-Ethyl (2E)-3-phenylpent-2-enethioate
SpectraBase Compound ID 69Ghhnp3Hrx
InChI InChI=1S/C13H16OS/c1-3-11(10-13(15)14-4-2)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3/b11-10+
InChIKey MLQUBXJXSTXRKE-ZHACJKMWSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID K53twAWlFrZ
Name o-Ethyl (2E)-3-phenylpent-2-enethioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.092186308 u
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-3-11(10-13(15)14-4-2)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3/b11-10+
InChIKey MLQUBXJXSTXRKE-ZHACJKMWSA-N
Molecular Weight 220.330 g/mol
SMILES C1(=CC=CC=C1)\C(=C\C(OCC)=S)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919935