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3-(1,3-benzodioxol-5-yl)-3-(p-toluoylamino)propionic acid
SpectraBase Compound ID qQsah5jbc4
InChI InChI=1S/C18H17NO5/c1-11-2-4-12(5-3-11)18(22)19-14(9-17(20)21)13-6-7-15-16(8-13)24-10-23-15/h2-8,14H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKey ZWCXEXAQZSGDON-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C18H17NO5
Exact Mass 327.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ejvMhuNFze
Name 3-(1,3-benzodioxol-5-yl)-3-(p-toluoylamino)propionic acid
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbonylamino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid Propionic acid, 3-(benzo[1,3]dioxol-5-yl)-3-(4-methylbenzoylamino)-
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Formula C18H17NO5
InChI InChI=1S/C18H17NO5/c1-11-2-4-12(5-3-11)18(22)19-14(9-17(20)21)13-6-7-15-16(8-13)24-10-23-15/h2-8,14H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKey ZWCXEXAQZSGDON-UHFFFAOYSA-N
Molecular Weight 327.336 g/mol
SMILES N(C(=O)c1ccc(cc1)C)C(CC(O)=O)c1cc2c(cc1)OCO2
SPLASH splash10-066s-4930000000-b525e3ace11e64c89285
Wiley ID 1447666