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1-(4-Methoxyphenyl)-3-(methylsulfanyl)-1-propanone

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

1-(4-Methoxyphenyl)-3-(methylsulfanyl)-1-propanone
SpectraBase Compound ID Ae6ZIEIQ2Bl
InChI InChI=1S/C11H14O2S/c1-13-10-5-3-9(4-6-10)11(12)7-8-14-2/h3-6H,7-8H2,1-2H3
InChIKey JMCSSHFKPLKKBF-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3538U9Zrx5y
Name 1-(4-Methoxyphenyl)-3-(methylsulfanyl)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.071450863 u
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-13-10-5-3-9(4-6-10)11(12)7-8-14-2/h3-6H,7-8H2,1-2H3
InChIKey JMCSSHFKPLKKBF-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES C(C=1C=CC(=CC1)OC)(=O)CCSC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965752