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

*Links on SpectraBase are not permalinks.

1-(Benzylthio)-2-oxopropyl acetate

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

1-(Benzylthio)-2-oxopropyl acetate
SpectraBase Compound ID HRkrCCVjp3P
InChI InChI=1S/C12H14O3S/c1-9(13)12(15-10(2)14)16-8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey ARVCWWPGLWMCSX-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 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 772h2JGjAAV
Name 1-(Benzylthio)-2-oxopropyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.066365482 u
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9(13)12(15-10(2)14)16-8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey ARVCWWPGLWMCSX-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C(C)(=O)OC(C(C)=O)SCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87777