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2-benzamido-3-(3,4-dimethoxyphenyl)propanoic acid
SpectraBase Compound ID 5gRZ5wgnM0t
InChI InChI=1S/C18H19NO5/c1-23-15-9-8-12(11-16(15)24-2)10-14(18(21)22)19-17(20)13-6-4-3-5-7-13/h3-9,11,14H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKey UFEIDPFGICDUHT-UHFFFAOYSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z5USHHgj5u
Name 2-benzamido-3-(3,4-dimethoxyphenyl)propanoic acid
Alternate Name(s) 2-benzamido-3-(3,4-dimethoxyphenyl)propionic acid N-Benzoyl-3,4-dimethoxyphenylalanine
CAS Registry Number 34996-90-2
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-23-15-9-8-12(11-16(15)24-2)10-14(18(21)22)19-17(20)13-6-4-3-5-7-13/h3-9,11,14H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKey UFEIDPFGICDUHT-UHFFFAOYSA-N
Molecular Weight 329.352 g/mol
SMILES N(C(=O)c1ccccc1)C(C(=O)O)Cc1cc(OC)c(cc1)OC
SPLASH splash10-0udi-0900000000-4d1c8425f7c591d4beb8
Source of Spectrum SO-0-796-7
Wiley ID 1543561