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o-Ethyl S-(4-bromophenylacyl) thiocarbonate

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

o-Ethyl S-(4-bromophenylacyl) thiocarbonate
SpectraBase Compound ID CyIARvgONH9
InChI InChI=1S/C11H11BrO3S/c1-2-15-11(14)16-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKey KVGOABJCHKZPJR-UHFFFAOYSA-N
Mol Weight 303.17 g/mol
Molecular Formula C11H11BrO3S
Exact Mass 301.961228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4i3D3iYdut
Name o-Ethyl S-(4-bromophenylacyl) thiocarbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.961228385 u
Formula C11H11BrO3S
InChI InChI=1S/C11H11BrO3S/c1-2-15-11(14)16-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKey KVGOABJCHKZPJR-UHFFFAOYSA-N
Molecular Weight 303.170 g/mol
SMILES C(SCC(C=1C=CC(=CC1)Br)=O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932291