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5-Methyl-2-[(4-phenylbenzoyl)amino]benzoic acid

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

5-Methyl-2-[(4-phenylbenzoyl)amino]benzoic acid
SpectraBase Compound ID ENYCEagYnuf
InChI InChI=1S/C21H17NO3/c1-14-7-12-19(18(13-14)21(24)25)22-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKey VZPMSBHZEFYYJM-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C21H17NO3
Exact Mass 331.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqzitvNkoOR
Name 5-Methyl-2-[(4-phenylbenzoyl)amino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.120843408 u
Formula C21H17NO3
InChI InChI=1S/C21H17NO3/c1-14-7-12-19(18(13-14)21(24)25)22-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKey VZPMSBHZEFYYJM-UHFFFAOYSA-N
Molecular Weight 331.371 g/mol
SMILES C(O)(=O)C1=C(C=CC(=C1)C)NC(=O)C=1C=CC(=CC1)C=1C=CC=CC1