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3-(m-toluoylamino)-3-(3-nitrophenyl)propionic acid
SpectraBase Compound ID FGDuFWfmcRQ
InChI InChI=1S/C17H16N2O5/c1-11-4-2-6-13(8-11)17(22)18-15(10-16(20)21)12-5-3-7-14(9-12)19(23)24/h2-9,15H,10H2,1H3,(H,18,22)(H,20,21)
InChIKey KOHPPSZEJGCFQY-UHFFFAOYSA-N
Mol Weight 328.32 g/mol
Molecular Formula C17H16N2O5
Exact Mass 328.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oOUzFrt52N
Name 3-(m-toluoylamino)-3-(3-nitrophenyl)propionic acid
Alternate Name(s) 3-[(3-methylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid 3-[(3-methylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid 3-[[(3-methylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid Propionic acid, 3-(3-methylbenzoylamino)-3-(3-nitrophenyl)-
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Formula C17H16N2O5
InChI InChI=1S/C17H16N2O5/c1-11-4-2-6-13(8-11)17(22)18-15(10-16(20)21)12-5-3-7-14(9-12)19(23)24/h2-9,15H,10H2,1H3,(H,18,22)(H,20,21)
InChIKey KOHPPSZEJGCFQY-UHFFFAOYSA-N
Molecular Weight 328.324 g/mol
SMILES N(C(c1cc(ccc1)C)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-014l-8900000000-47496c0016a6b7f43862
Wiley ID 1439293