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Benzoic acid, 4-acetylbenzyl ester

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

Benzoic acid, 4-acetylbenzyl ester
SpectraBase Compound ID GGQE9PJGrxD
InChI InChI=1S/C16H14O3/c1-12(17)14-9-7-13(8-10-14)11-19-16(18)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKey XNVVKORSXYXOFJ-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9O0TTLskWx7
Name Benzoic acid, 4-acetylbenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-12(17)14-9-7-13(8-10-14)11-19-16(18)15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKey XNVVKORSXYXOFJ-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C(=O)(C1=CC=CC=C1)OCC1=CC=C(C(C)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838947