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(E)-3-[3'-(Phenylthio)-prop-1'-enyl]-butan-4-olide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E)-3-[3'-(Phenylthio)-prop-1'-enyl]-butan-4-olide
SpectraBase Compound ID GHeUTi9Yd00
InChI InChI=1S/C13H14O2S/c14-13-9-11(10-15-13)5-4-8-16-12-6-2-1-3-7-12/h1-7,11H,8-10H2/b5-4+
InChIKey DRQNITCLHKLUAS-SNAWJCMRSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KhldyR4SFfJ
Name (E)-3-[3'-(Phenylthio)-prop-1'-enyl]-butan-4-olide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.071450863 u
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-13-9-11(10-15-13)5-4-8-16-12-6-2-1-3-7-12/h1-7,11H,8-10H2/b5-4+
InChIKey DRQNITCLHKLUAS-SNAWJCMRSA-N
Molecular Weight 234.313 g/mol
SMILES C1(OCC(C1)\C=C\CSC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928589