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2-({4-[(2-Bromobenzoyl)amino]benzoyl}amino)benzoic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-({4-[(2-Bromobenzoyl)amino]benzoyl}amino)benzoic acid
SpectraBase Compound ID 3g73zoNSSnP
InChI InChI=1S/C21H15BrN2O4/c22-17-7-3-1-5-15(17)20(26)23-14-11-9-13(10-12-14)19(25)24-18-8-4-2-6-16(18)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKey RYGMCQSOLWPVAN-UHFFFAOYSA-N
Mol Weight 439.27 g/mol
Molecular Formula C21H15BrN2O4
Exact Mass 438.02152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AawTmd1eGov
Name 2-({4-[(2-Bromobenzoyl)amino]benzoyl}amino)benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 438.021519967 u
Formula C21H15BrN2O4
InChI InChI=1S/C21H15BrN2O4/c22-17-7-3-1-5-15(17)20(26)23-14-11-9-13(10-12-14)19(25)24-18-8-4-2-6-16(18)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIKey RYGMCQSOLWPVAN-UHFFFAOYSA-N
Molecular Weight 439.265 g/mol
SMILES C(C1=C(Br)C=CC=C1)(NC=1C=CC(C(NC=2C(C(=O)O)=CC=CC2)=O)=CC1)=O