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m-[3-(2-Chloronicotinoyl)urido]benzoic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

m-[3-(2-Chloronicotinoyl)urido]benzoic acid, methyl ester
SpectraBase Compound ID 2c2ulxHAFZ9
InChI InChI=1S/C15H12ClN3O4/c1-23-14(21)9-4-2-5-10(8-9)18-15(22)19-13(20)11-6-3-7-17-12(11)16/h2-8H,1H3,(H2,18,19,20,22)
InChIKey ROZAILARRJHLSC-UHFFFAOYSA-N
Mol Weight 333.73 g/mol
Molecular Formula C15H12ClN3O4
Exact Mass 333.051634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXs3hMQ3oqp
Name m-[3-(2-Chloronicotinoyl)urido]benzoic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.051633574 u
Formula C15H12ClN3O4
InChI InChI=1S/C15H12ClN3O4/c1-23-14(21)9-4-2-5-10(8-9)18-15(22)19-13(20)11-6-3-7-17-12(11)16/h2-8H,1H3,(H2,18,19,20,22)
InChIKey ROZAILARRJHLSC-UHFFFAOYSA-N
Molecular Weight 333.731 g/mol
SMILES N(C(C=1C=CC=NC1Cl)=O)C(NC=1C=C(C(OC)=O)C=CC1)=O