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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 4cVrYT9NBTo
Name 4-(4-Methoxy-3-methylphenyl)-4-oxobutanoic acid
CAS Registry Number 33446-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 splash10-0002-4910000000-21f618700d08e28fe9eb
Source of Spectrum F-47-5763-3
Synonyms 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
Wiley ID 1222297