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p-[3-(m-Chlorophenyl)ureido]hippuric acid

View entire compound with spectra: 1 NMR, and 1 FTIR

p-[3-(m-Chlorophenyl)ureido]hippuric acid
SpectraBase Compound ID 1pksquHmLMU
InChI InChI=1S/C16H14ClN3O4/c17-11-2-1-3-13(8-11)20-16(24)19-12-6-4-10(5-7-12)15(23)18-9-14(21)22/h1-8H,9H2,(H,18,23)(H,21,22)(H2,19,20,24)
InChIKey TYLBVZTYKXGPDC-UHFFFAOYSA-N
Mol Weight 347.76 g/mol
Molecular Formula C16H14ClN3O4
Exact Mass 347.067284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfB8DiMvqOp
Name p-[3-(m-Chlorophenyl)ureido]hippuric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.067283639 u
Formula C16H14ClN3O4
InChI InChI=1S/C16H14ClN3O4/c17-11-2-1-3-13(8-11)20-16(24)19-12-6-4-10(5-7-12)15(23)18-9-14(21)22/h1-8H,9H2,(H,18,23)(H,21,22)(H2,19,20,24)
InChIKey TYLBVZTYKXGPDC-UHFFFAOYSA-N
Molecular Weight 347.758 g/mol
SMILES N(C=1C=CC=C(Cl)C1)C(=O)NC1=CC=C(C(=O)NCC(=O)O)C=C1