Benzoic acid, 4-[(acetyloxy)methyl]-, methyl ester

SpectraBase Compound ID	9HDtUw05Jxe
InChI	InChI=1S/C11H12O4/c1-8(12)15-7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3
InChIKey	HQTKRZQPZMGMAP-UHFFFAOYSA-N Google Search
Mol Weight	208.21 g/mol
Molecular Formula	C11H12O4
Exact Mass	208.073559 g/mol

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SpectraBase Spectrum ID	JKmeXnTAGs
Name	Benzoic acid, 4-[(acetyloxy)methyl]-, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	208.073558862 u
Formula	C11H12O4
InChI	InChI=1S/C11H12O4/c1-8(12)15-7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3
InChIKey	HQTKRZQPZMGMAP-UHFFFAOYSA-N
Molecular Weight	208.213 g/mol
SMILES	COC(=O)C1=CC=C(C=C1)COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.944206