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3-(4-Methoxyphenyl)-3-(m-toluoylamino)propionic acid
SpectraBase Compound ID 3k3rQcKob91
InChI InChI=1S/C18H19NO4/c1-12-4-3-5-14(10-12)18(22)19-16(11-17(20)21)13-6-8-15(23-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKey BBBCREXMBKFVEP-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuvQouPFC9A
Name 3-(4-Methoxyphenyl)-3-(m-toluoylamino)propionic acid
Alternate Name(s) 3-(4-Methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid 3-(4-Methoxyphenyl)-3-[(3-methylphenyl)carbonylamino]propanoic acid 3-(4-Methoxyphenyl)-3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid
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Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-12-4-3-5-14(10-12)18(22)19-16(11-17(20)21)13-6-8-15(23-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKey BBBCREXMBKFVEP-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES N(C(c1cc(C)ccc1)=O)C(CC(=O)O)c1ccc(cc1)OC
SPLASH splash10-00kf-8900000000-dded04b719b335996e1b
Wiley ID 1443548