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VLELIHASWJRPPZ-UHFFFAOYSA-N
SpectraBase Compound ID CUtqg9Hma68
InChI InChI=1S/C12H14O3/c1-8-4-5-10(7-9(2)13)11(6-8)12(14)15-3/h4-6H,7H2,1-3H3
InChIKey VLELIHASWJRPPZ-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbLLP8IwRv
Name 2-Acetonyl-5-methyl-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-4-5-10(7-9(2)13)11(6-8)12(14)15-3/h4-6H,7H2,1-3H3
InChIKey VLELIHASWJRPPZ-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES c1(c(CC(=O)C)ccc(c1)C)C(=O)OC
SPLASH splash10-0089-0900000000-2c594583eba086fc1d83
Source of Spectrum AH-127-216-18
Synonyms 5-Methyl-2-(2-oxopropyl)benzoic acid methyl ester Methyl 2-acetonyl-5-methyl-benzoate Methyl 5-methyl-2-(2-oxidanylidenepropyl)benzoate Methyl 5-methyl-2-(2-oxopropyl)benzoate
Wiley ID 1204493