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2-Acetonyl-4-methyl-benzoic acid methyl ester
SpectraBase Compound ID 4gRM0sQ3GYk
InChI InChI=1S/C12H14O3/c1-8-4-5-11(12(14)15-3)10(6-8)7-9(2)13/h4-6H,7H2,1-3H3
InChIKey HIDKSHGWRSBKEW-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 EQ9C2fUsKi9
Name 2-Acetonyl-4-methyl-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-4-5-11(12(14)15-3)10(6-8)7-9(2)13/h4-6H,7H2,1-3H3
InChIKey HIDKSHGWRSBKEW-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES c1(c(C(=O)OC)ccc(c1)C)CC(=O)C
SPLASH splash10-001i-0900000000-1170b6b7386e3a3c380b
Source of Spectrum AH-127-216-18
Synonyms 4-Methyl-2-(2-oxopropyl)benzoic acid methyl ester Methyl 2-acetonyl-4-methyl-benzoate Methyl 4-methyl-2-(2-oxidanylidenepropyl)benzoate Methyl 4-methyl-2-(2-oxopropyl)benzoate
Wiley ID 1204494