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(2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propanoic acid
SpectraBase Compound ID 44a8OnHXKB1
InChI InChI=1S/C17H18O4/c1-20-15-9-8-13(11-16(15)21-2)14(17(18)19)10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKey QLHOKKJGONGTKA-AWEZNQCLSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SaQ3fGeycN
Name (2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propanoic acid
Alternate Name(s) (2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propionic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-20-15-9-8-13(11-16(15)21-2)14(17(18)19)10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKey QLHOKKJGONGTKA-AWEZNQCLSA-N
Molecular Weight 286.327 g/mol
SMILES OC([C@](c1cc(OC)c(cc1)OC)(Cc1ccccc1)[H])=O
SPLASH splash10-0002-0920000000-a2b64c2b62054c7cdc57
Source of Spectrum J-64-4614-3
Wiley ID 1530313