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4-(3'-Chlorobenzoyl)benzene-1-acetic acid

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

4-(3'-Chlorobenzoyl)benzene-1-acetic acid
SpectraBase Compound ID 1vUw9gBaceN
InChI InChI=1S/C15H11ClO4/c16-12-3-1-2-11(8-12)15(19)10-4-6-13(7-5-10)20-9-14(17)18/h1-8H,9H2,(H,17,18)
InChIKey FJALVBMMKQNQFB-UHFFFAOYSA-N
Mol Weight 290.7 g/mol
Molecular Formula C15H11ClO4
Exact Mass 290.034587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5i0kLoP1wHt
Name 4-(3'-Chlorobenzoyl)benzene-1-acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.034586530 u
Formula C15H11ClO4
InChI InChI=1S/C15H11ClO4/c16-12-3-1-2-11(8-12)15(19)10-4-6-13(7-5-10)20-9-14(17)18/h1-8H,9H2,(H,17,18)
InChIKey FJALVBMMKQNQFB-UHFFFAOYSA-N
SMILES C(C1=CC(Cl)=CC=C1)(C1=CC=C(OCC(=O)O)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851766