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3-Bromobenzoic acid, 4-chloro-2-methylphenyl ester

View entire compound with spectra: 1 FTIR

3-Bromobenzoic acid, 4-chloro-2-methylphenyl ester
SpectraBase Compound ID 1GpDqlKfZLF
InChI InChI=1S/C14H10BrClO2/c1-9-7-12(16)5-6-13(9)18-14(17)10-3-2-4-11(15)8-10/h2-8H,1H3
InChIKey OGZJHMOIOSTWSX-UHFFFAOYSA-N
Mol Weight 325.59 g/mol
Molecular Formula C14H10BrClO2
Exact Mass 323.95527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4e2NdAwcEjt
Name 3-Bromobenzoic acid, 4-chloro-2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.955270260 u
Formula C14H10BrClO2
InChI InChI=1S/C14H10BrClO2/c1-9-7-12(16)5-6-13(9)18-14(17)10-3-2-4-11(15)8-10/h2-8H,1H3
InChIKey OGZJHMOIOSTWSX-UHFFFAOYSA-N
Molecular Weight 325.589 g/mol
SMILES C(C1=CC(=CC=C1)Br)(=O)OC1=CC=C(C=C1C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843177