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p-[3-(p-Anilinophenyl)ureido]benzoic acid, ethyl ester
SpectraBase Compound ID C7Yl3fNQD5H
InChI InChI=1S/C22H21N3O3/c1-2-28-21(26)16-8-10-19(11-9-16)24-22(27)25-20-14-12-18(13-15-20)23-17-6-4-3-5-7-17/h3-15,23H,2H2,1H3,(H2,24,25,27)
InChIKey UZIHOTVZCOOSDZ-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C22H21N3O3
Exact Mass 375.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfoGTlx50kB
Name p-[3-(p-Anilinophenyl)ureido]benzoic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.158291545 u
Formula C22H21N3O3
InChI InChI=1S/C22H21N3O3/c1-2-28-21(26)16-8-10-19(11-9-16)24-22(27)25-20-14-12-18(13-15-20)23-17-6-4-3-5-7-17/h3-15,23H,2H2,1H3,(H2,24,25,27)
InChIKey UZIHOTVZCOOSDZ-UHFFFAOYSA-N
Molecular Weight 375.428 g/mol
SMILES N(C1=CC=CC=C1)C=1C=CC(=CC1)NC(NC=1C=CC(=CC1)C(OCC)=O)=O