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

*Links on SpectraBase are not permalinks.

2-[Bromoacetyl]phenoxathiin

View entire compound with spectra: 1 FTIR

2-[Bromoacetyl]phenoxathiin
SpectraBase Compound ID JGadNubCwrr
InChI InChI=1S/C14H9BrO2S/c15-8-10(16)9-5-6-12-14(7-9)18-13-4-2-1-3-11(13)17-12/h1-7H,8H2
InChIKey PHPREENNXYTOEE-UHFFFAOYSA-N
Mol Weight 321.19 g/mol
Molecular Formula C14H9BrO2S
Exact Mass 319.950664 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 6F7o6Aqet2r
Name 2-[Bromoacetyl]phenoxathiin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.950663702 u
Formula C14H9BrO2S
InChI InChI=1S/C14H9BrO2S/c15-8-10(16)9-5-6-12-14(7-9)18-13-4-2-1-3-11(13)17-12/h1-7H,8H2
InChIKey PHPREENNXYTOEE-UHFFFAOYSA-N
Molecular Weight 321.188 g/mol
SMILES C1=2SC3=C(OC2C=CC=C1)C=CC(=C3)C(=O)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806599