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3-(4-METHOXY-3-METHYLBENZOYL)-PROPIONIC-ACID
SpectraBase Compound ID LiQyk7k0FxA
InChI InChI=1S/C12H14O4/c1-8-7-9(3-5-11(8)16-2)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChIKey WNNVNQBKNSPKPP-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E10mQyoYQrD
Name 4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
Alternate Name(s) 4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoic acid Benzenebutanoic acid, 4-methoxy-3-methyl-.gamma.-oxo- 4-(4-methoxy-3-methyl-phenyl)-4-oxo-butanoic acid 4-keto-4-(4-methoxy-3-methyl-phenyl)butyric acid
CAS Registry Number 33446-14-9
Comments Less than 3 mono-isotopic peaks
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Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8-7-9(3-5-11(8)16-2)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChIKey WNNVNQBKNSPKPP-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(CCC(c1cc(C)c(cc1)OC)=O)=O
SPLASH splash10-0002-0920000000-3df36bfc39d82673e434
Source of Spectrum J-54-4624-0
Wiley ID 1222270