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5-Bromo-2,6-diphenyl-2H-thiopyran-4(3H)-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-Bromo-2,6-diphenyl-2H-thiopyran-4(3H)-one
SpectraBase Compound ID HReJDvbkgBU
InChI InChI=1S/C17H13BrOS/c18-16-14(19)11-15(12-7-3-1-4-8-12)20-17(16)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKey UVEOPENMSXDHQP-UHFFFAOYSA-N
Mol Weight 345.25 g/mol
Molecular Formula C17H13BrOS
Exact Mass 343.987049 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F1lxf4LPnmt
Name 4H-Thiopyran-4-one, 5-bromo-2,3-dihydro-2,6-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.987049212 u
Formula C17H13BrOS
InChI InChI=1S/C17H13BrOS/c18-16-14(19)11-15(12-7-3-1-4-8-12)20-17(16)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKey UVEOPENMSXDHQP-UHFFFAOYSA-N
Molecular Weight 345.254 g/mol
SMILES C1(Br)=C(SC(CC1=O)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907082