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Benzoic acid, 4-benzoyl-, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

Benzoic acid, 4-benzoyl-, methyl ester
SpectraBase Compound ID EFuwBFLa8o8
InChI InChI=1S/C15H12O3/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey UPXFXAMIFNGJLD-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C15H12O3
Exact Mass 240.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LMNrqx7Gi1i
Name Benzoic acid, 4-benzoyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.078644243 u
Formula C15H12O3
InChI InChI=1S/C15H12O3/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey UPXFXAMIFNGJLD-UHFFFAOYSA-N
Molecular Weight 240.258 g/mol
SMILES C(=O)(C1=CC=C(C=C1)C(OC)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891213