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o-Chlorobenzoic acid, p-bromophenacyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

o-Chlorobenzoic acid, p-bromophenacyl ester
SpectraBase Compound ID IOPeA51XbVm
InChI InChI=1S/C15H10BrClO3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKey KHERUXIUHUYJMN-UHFFFAOYSA-N
Mol Weight 353.6 g/mol
Molecular Formula C15H10BrClO3
Exact Mass 351.950185 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KWgDhp1F5Bk
Name o-Chlorobenzoic acid, p-bromophenacyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.950184879 u
Formula C15H10BrClO3
InChI InChI=1S/C15H10BrClO3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKey KHERUXIUHUYJMN-UHFFFAOYSA-N
Molecular Weight 353.599 g/mol
SMILES C=1C(=C(C=CC1)Cl)C(OCC(C=1C=CC(=CC1)Br)=O)=O
Spectrum/Structure Validation Score (Raman) 0.956959