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Benzoic acid, 2,4-dichloro-, 4-acetylphenyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Benzoic acid, 2,4-dichloro-, 4-acetylphenyl ester
SpectraBase Compound ID JVhGiv9IOD2
InChI InChI=1S/C15H10Cl2O3/c1-9(18)10-2-5-12(6-3-10)20-15(19)13-7-4-11(16)8-14(13)17/h2-8H,1H3
InChIKey FDSVPQHFCDZSAD-UHFFFAOYSA-N
Mol Weight 309.15 g/mol
Molecular Formula C15H10Cl2O3
Exact Mass 308.0007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HdKxk2bhnPV
Name Benzoic acid, 2,4-dichloro-, 4-acetylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.000699579 u
Formula C15H10Cl2O3
InChI InChI=1S/C15H10Cl2O3/c1-9(18)10-2-5-12(6-3-10)20-15(19)13-7-4-11(16)8-14(13)17/h2-8H,1H3
InChIKey FDSVPQHFCDZSAD-UHFFFAOYSA-N
Molecular Weight 309.148 g/mol
SMILES C1(C(OC=2C=CC(C(C)=O)=CC2)=O)=C(C=C(C=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976958