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Phenyl S-(4-bromophenyl)-thiocarbonate

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

Phenyl S-(4-bromophenyl)-thiocarbonate
SpectraBase Compound ID I2r0MKrrqPJ
InChI InChI=1S/C13H9BrO2S/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h1-9H
InChIKey VKPSKVIYCUPHOE-UHFFFAOYSA-N
Mol Weight 309.18 g/mol
Molecular Formula C13H9BrO2S
Exact Mass 307.950664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2G7mCCofzct
Name Phenyl S-(4-bromophenyl)-thiocarbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.950663702 u
Formula C13H9BrO2S
InChI InChI=1S/C13H9BrO2S/c14-10-6-8-12(9-7-10)17-13(15)16-11-4-2-1-3-5-11/h1-9H
InChIKey VKPSKVIYCUPHOE-UHFFFAOYSA-N
Molecular Weight 309.177 g/mol
SMILES C(SC=1C=CC(=CC1)Br)(OC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856443