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3-Methoxy-4-(methylthio)-1-phenyl-1-pentanone

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

3-Methoxy-4-(methylthio)-1-phenyl-1-pentanone
SpectraBase Compound ID J6G6CHDi3sY
InChI InChI=1S/C13H18O2S/c1-10(16-3)13(15-2)9-12(14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKey BAVGISCGWHWNDQ-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xq7NKhMdtA
Name 3-Methoxy-4-(methylthio)-1-phenyl-1-pentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.102750992 u
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-10(16-3)13(15-2)9-12(14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKey BAVGISCGWHWNDQ-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(C(=O)C=1C=CC=CC1)C(C(SC)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80326