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Benzoic acid, 3-[(acetyloxy)methyl]-4,5-dimethyl-, methyl ester
SpectraBase Compound ID I7atoPxgU1C
InChI InChI=1S/C13H16O4/c1-8-5-11(13(15)16-4)6-12(9(8)2)7-17-10(3)14/h5-6H,7H2,1-4H3
InChIKey ZDJCVTUPDDHGIF-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hBsSxra9fC
Name Benzoic acid, 3-[(acetyloxy)methyl]-4,5-dimethyl-, methyl ester
CAS Registry Number 104532-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-5-11(13(15)16-4)6-12(9(8)2)7-17-10(3)14/h5-6H,7H2,1-4H3
InChIKey ZDJCVTUPDDHGIF-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES c1(C(=O)OC)cc(COC(=O)C)c(c(c1)C)C
SPLASH splash10-002f-7900000000-32564ef01708e4b8e9b4
Source of Spectrum J-51-4548-0
Synonyms 5-Carbomethoxy-2,3-dimethylbenzyl acetate Methyl 3-[(acetyloxy)methyl]-4,5-dimethylbenzoate
Wiley ID 1238073