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o-Chlorobenzoic acid, 2,4-dichlorophenyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

o-Chlorobenzoic acid, 2,4-dichlorophenyl ester
SpectraBase Compound ID HtECRsoInkx
InChI InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H
InChIKey PMRFDDONDWDTFW-UHFFFAOYSA-N
Mol Weight 301.56 g/mol
Molecular Formula C13H7Cl3O2
Exact Mass 299.951163 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DOiIn7An695
Name o-Chlorobenzoic acid, 2,4-dichlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.951162563 u
Formula C13H7Cl3O2
InChI InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H
InChIKey PMRFDDONDWDTFW-UHFFFAOYSA-N
Molecular Weight 301.556 g/mol
SMILES C1=C(C(=CC=C1)C(OC=1C(=CC(=CC1)Cl)Cl)=O)Cl
Spectrum/Structure Validation Score (Raman) 0.90703