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4-[[(2-benzamidobenzoyl)amino]methyl]benzoic acid

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

4-[[(2-benzamidobenzoyl)amino]methyl]benzoic acid
SpectraBase Compound ID BSIXwhi6KTt
InChI InChI=1S/C22H18N2O4/c25-20(16-6-2-1-3-7-16)24-19-9-5-4-8-18(19)21(26)23-14-15-10-12-17(13-11-15)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28)
InChIKey WAVGPZLUXBKCTG-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H18N2O4
Exact Mass 374.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fqhlrWFXdB
Name 4-[[(2-benzamidobenzoyl)amino]methyl]benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 374.126657064 u
Formula C22H18N2O4
InChI InChI=1S/C22H18N2O4/c25-20(16-6-2-1-3-7-16)24-19-9-5-4-8-18(19)21(26)23-14-15-10-12-17(13-11-15)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28)
InChIKey WAVGPZLUXBKCTG-UHFFFAOYSA-N
Molecular Weight 374.396 g/mol
SMILES C1(C(NCC2=CC=C(C(=O)O)C=C2)=O)=C(NC(=O)C=2C=CC=CC2)C=CC=C1