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Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester

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

Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID 82sgAY9Myhr
InChI InChI=1S/C15H11ClO3/c16-13-8-6-12(7-9-13)15(18)19-10-14(17)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NVTQPWOXSGWFES-UHFFFAOYSA-N
Mol Weight 274.7 g/mol
Molecular Formula C15H11ClO3
Exact Mass 274.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID El93yMUx4CJ
Name Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.039671911 u
Formula C15H11ClO3
InChI InChI=1S/C15H11ClO3/c16-13-8-6-12(7-9-13)15(18)19-10-14(17)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NVTQPWOXSGWFES-UHFFFAOYSA-N
SMILES C(OCC(=O)C1=CC=CC=C1)(=O)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888238