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(2S)-2-(3,4-dimethoxyphenyl)butanoic acid
SpectraBase Compound ID HrO96NcdFkn
InChI InChI=1S/C12H16O4/c1-4-9(12(13)14)8-5-6-10(15-2)11(7-8)16-3/h5-7,9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKey ACKKUPHTDWMADK-VIFPVBQESA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuKTTC4BqBI
Name (2S)-2-(3,4-dimethoxyphenyl)butanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-4-9(12(13)14)8-5-6-10(15-2)11(7-8)16-3/h5-7,9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKey ACKKUPHTDWMADK-VIFPVBQESA-N
Molecular Weight 224.256 g/mol
SMILES OC([C@](c1cc(OC)c(cc1)OC)(CC)[H])=O
SPLASH splash10-00b9-0950000000-3cfa764b72cedee21e80
Source of Spectrum J-64-4614-3
Synonyms (2S)-2-(3,4-dimethoxyphenyl)butyric acid
Wiley ID 1530315