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3-[(3,4-dimethylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
SpectraBase Compound ID 98WTPgM7ykn
InChI InChI=1S/C18H18N2O5/c1-11-6-7-14(8-12(11)2)18(23)19-16(10-17(21)22)13-4-3-5-15(9-13)20(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey UEUQTOABNUTDFQ-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbuE8iES0kP
Name 3-[(3,4-dimethylbenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
Alternate Name(s) 3-[(3,4-dimethylphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid 3-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid
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Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c1-11-6-7-14(8-12(11)2)18(23)19-16(10-17(21)22)13-4-3-5-15(9-13)20(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey UEUQTOABNUTDFQ-UHFFFAOYSA-N
Molecular Weight 342.351 g/mol
SMILES N(C(c1cc(C)c(cc1)C)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-001i-4900000000-52f4ba52d9068157c585
Wiley ID 1443702