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2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid

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

2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid
SpectraBase Compound ID 3dl4uPlSzPb
InChI InChI=1S/C21H15ClN2O4/c22-15-9-5-13(6-10-15)19(25)23-16-11-7-14(8-12-16)20(26)24-18-4-2-1-3-17(18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)
InChIKey NGLGNHNJQPCNFJ-UHFFFAOYSA-N
Mol Weight 394.81 g/mol
Molecular Formula C21H15ClN2O4
Exact Mass 394.072035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaHYOtM2c0n
Name 2-[[4-[(4-Chlorophenyl)carbonylamino]phenyl]carbonylamino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.072034667 u
Formula C21H15ClN2O4
InChI InChI=1S/C21H15ClN2O4/c22-15-9-5-13(6-10-15)19(25)23-16-11-7-14(8-12-16)20(26)24-18-4-2-1-3-17(18)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)
InChIKey NGLGNHNJQPCNFJ-UHFFFAOYSA-N
Molecular Weight 394.814 g/mol
SMILES C1(=C(NC(C2=CC=C(NC(C=3C=CC(=CC3)Cl)=O)C=C2)=O)C=CC=C1)C(=O)O