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3-(Methylthio)-1-phenyl-2-butanone
SpectraBase Compound ID 8p17e2Jlayl
InChI InChI=1S/C11H14OS/c1-9(13-2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey CDZADZHIWVWNRB-UHFFFAOYSA-N
Mol Weight 194.29 g/mol
Molecular Formula C11H14OS
Exact Mass 194.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 97Qr5916YHM
Name 3-(Methylthio)-1-phenyl-2-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.076536244 u
Formula C11H14OS
InChI InChI=1S/C11H14OS/c1-9(13-2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey CDZADZHIWVWNRB-UHFFFAOYSA-N
Molecular Weight 194.292 g/mol
SMILES C(CC=1C=CC=CC1)(=O)C(SC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93695