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3-Methyl-3-phenyl-1,4-dihydro-2-benzothiopyran

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

3-Methyl-3-phenyl-1,4-dihydro-2-benzothiopyran
SpectraBase Compound ID E7LkxTLKkLp
InChI InChI=1S/C16H16S/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-17-16/h2-10H,11-12H2,1H3
InChIKey QHWKJQRBQMVSGR-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C16H16S
Exact Mass 240.097272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gv8fwZsLVCw
Name 3-Methyl-3-phenyl-1,4-dihydro-2-benzothiopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.097271689 u
Formula C16H16S
InChI InChI=1S/C16H16S/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-17-16/h2-10H,11-12H2,1H3
InChIKey QHWKJQRBQMVSGR-UHFFFAOYSA-N
Molecular Weight 240.364 g/mol
SMILES C1(SCC2=C(C1)C=CC=C2)(C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919972