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4-{[3-(isobutyrylamino)benzoyl]amino}benzoic acid
SpectraBase Compound ID EKwAngilQG5
InChI InChI=1S/C18H18N2O4/c1-11(2)16(21)20-15-5-3-4-13(10-15)17(22)19-14-8-6-12(7-9-14)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey VDVFCUWNCMDHJU-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A4RwNpHQ3A
Name 4-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
Alternate Name(s) 4-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]benzoic acid 4-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzoic acid
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Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-11(2)16(21)20-15-5-3-4-13(10-15)17(22)19-14-8-6-12(7-9-14)18(23)24/h3-11H,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey VDVFCUWNCMDHJU-UHFFFAOYSA-N
Molecular Weight 326.352 g/mol
SMILES N(C(c1cc(NC(=O)C(C)C)ccc1)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-0006-9400000000-84e60e4344de2ae5754f
Wiley ID 1442482