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Methyl 4-(tolyl)acetoacetate
SpectraBase Compound ID H1l8xS5Sjdk
InChI InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)7-11(13)8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKey AVQXTWUZOCHHCR-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 C7zJXzevjGk
Name Methyl 4-(tolyl)acetoacetate
Alternate Name(s) 4-(4-Methylphenyl)-3-oxobutanoic acid methyl ester Methyl 4-(4-methylphenyl)-3-oxobutanoate Methyl 3-oxo-4-(p-tolyl)butanoate Methyl 4-(4-methylphenyl)-3-oxidanylidene-butanoate
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Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)7-11(13)8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKey AVQXTWUZOCHHCR-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C(C(=O)OC)C(=O)Cc1ccc(cc1)C
SPLASH splash10-0a4i-0930000000-c645d6b7e38589e7e39a
Source of Spectrum F4-41-246-2e
Wiley ID 1671711