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4H-Thiopyran-4-one, tetrahydro-, 3-methyl-2-phenyl-

View entire compound with spectra: 1 FTIR

4H-Thiopyran-4-one, tetrahydro-, 3-methyl-2-phenyl-
SpectraBase Compound ID 8mIJHin0iiv
InChI InChI=1S/C12H14OS/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey NVADHUXEINLUDW-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LA3kFJ8ZEDn
Name 4H-Thiopyran-4-one, tetrahydro-, 3-methyl-2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.076536244 u
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey NVADHUXEINLUDW-UHFFFAOYSA-N
Molecular Weight 206.303 g/mol
SMILES C1CSC(C(C1=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95427