For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(4-Bromophenyl)-2,3-dihydro-1-benzothiopyran-4-one

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

2-(4-Bromophenyl)-2,3-dihydro-1-benzothiopyran-4-one
SpectraBase Compound ID CDrfEf1HpF7
InChI InChI=1S/C15H11BrOS/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKey FMZRKHKXZYXRKP-UHFFFAOYSA-N
Mol Weight 319.22 g/mol
Molecular Formula C15H11BrOS
Exact Mass 317.971399 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7xZrTMLuc4f
Name 2-(4-Bromophenyl)-2,3-dihydro-1-benzothiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.971399147 u
Formula C15H11BrOS
InChI InChI=1S/C15H11BrOS/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKey FMZRKHKXZYXRKP-UHFFFAOYSA-N
Molecular Weight 319.216 g/mol
SMILES C=12SC(CC(C2=CC=CC1)=O)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935292