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Benzoic acid, 4-[(acetyloxy)methyl]-3,5-dimethyl-, methyl ester
SpectraBase Compound ID 1DzXLPWLGUp
InChI InChI=1S/C13H16O4/c1-8-5-12(17-11(4)15)6-9(2)13(8)7-16-10(3)14/h5-6H,7H2,1-4H3
InChIKey IKALKONNBLSDEI-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 FNem1UgqJ90
Name Benzoic acid, 4-[(acetyloxy)methyl]-3,5-dimethyl-, methyl ester
CAS Registry Number 104532-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-5-12(17-11(4)15)6-9(2)13(8)7-16-10(3)14/h5-6H,7H2,1-4H3
InChIKey IKALKONNBLSDEI-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES c1(c(cc(cc1C)OC(=O)C)C)COC(=O)C
SPLASH splash10-001r-0900000000-594afecf99910275fe5d
Source of Spectrum J-51-4548-0
Synonyms 4-(acetyloxy)-2,6-dimethylbenzyl acetate 4-Acetoxy-2,6-dimethylbenzyl acetate 4-Carbomethoxy-2,6-dimethylbenzyl acetate
Wiley ID 1238071