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Benzoic acid, 2-(acetyloxy)-, 2-carboxyphenyl ester

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

Benzoic acid, 2-(acetyloxy)-, 2-carboxyphenyl ester
SpectraBase Compound ID JJ4AlZer3nR
InChI InChI=1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)
InChIKey DDSFKIFGAPZBSR-UHFFFAOYSA-N
Mol Weight 300.27 g/mol
Molecular Formula C16H12O6
Exact Mass 300.063388 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2cRaMMgklRL
Name Benzoic acid, 2-(acetyloxy)-, 2-carboxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.063388100 u
Formula C16H12O6
InChI InChI=1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)
InChIKey DDSFKIFGAPZBSR-UHFFFAOYSA-N
SMILES C(=O)(C)OC=1C=CC=CC1C(=O)OC1=C(C(O)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991039