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Trans-2,6-diphenyl-tetrahydro-4H-thiopyran-4-one

View entire compound with spectra: 2 NMR, and 1 Raman

Trans-2,6-diphenyl-tetrahydro-4H-thiopyran-4-one
SpectraBase Compound ID 4lrnV1FPLyl
InChI InChI=1S/C17H16OS/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKey PPJHHCQGZVIWAR-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C17H16OS
Exact Mass 268.092186 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K0zQcCovR0l
Name Trans-2,6-diphenyl-tetrahydro-4H-thiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.092186308 u
Formula C17H16OS
InChI InChI=1S/C17H16OS/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKey PPJHHCQGZVIWAR-UHFFFAOYSA-N
Molecular Weight 268.374 g/mol
SMILES C1(=O)CC(C2=CC=CC=C2)SC(C2=CC=CC=C2)C1
Spectrum/Structure Validation Score (Raman) 0.988546