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2-Cyclohexen-1-one, 3-hydroxy-5-[4-(methylthio)phenyl]-

View entire compound with spectra: 1 FTIR, and 1 Raman

2-Cyclohexen-1-one, 3-hydroxy-5-[4-(methylthio)phenyl]-
SpectraBase Compound ID KFN20hncNyM
InChI InChI=1S/C13H14O2S/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,8,10,14H,6-7H2,1H3
InChIKey NVCKBIIKAAIKOU-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5ypnrbEo4I3
Name 2-Cyclohexen-1-one, 3-hydroxy-5-[4-(methylthio)phenyl]-
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/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,8,10,14H,6-7H2,1H3
InChIKey NVCKBIIKAAIKOU-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES OC1=CC(CC(C2=CC=C(C=C2)SC)C1)=O
Spectrum/Structure Validation Score (Raman) 0.905802