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p-[3-(p-Chlorophenyl)ureido]hippuric acid, propyl ester

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

p-[3-(p-Chlorophenyl)ureido]hippuric acid, propyl ester
SpectraBase Compound ID HNB00YVaLTE
InChI InChI=1S/C19H20ClN3O4/c1-2-11-27-17(24)12-21-18(25)13-3-7-15(8-4-13)22-19(26)23-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,25)(H2,22,23,26)
InChIKey DHCUVJSKVLVWQK-UHFFFAOYSA-N
Mol Weight 389.84 g/mol
Molecular Formula C19H20ClN3O4
Exact Mass 389.114234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOULC4vj7mh
Name p-[3-(p-Chlorophenyl)ureido]hippuric acid, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.114233832 u
Formula C19H20ClN3O4
InChI InChI=1S/C19H20ClN3O4/c1-2-11-27-17(24)12-21-18(25)13-3-7-15(8-4-13)22-19(26)23-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,25)(H2,22,23,26)
InChIKey DHCUVJSKVLVWQK-UHFFFAOYSA-N
Molecular Weight 389.839 g/mol
SMILES N(C=1C=CC(Cl)=CC1)C(=O)NC1=CC=C(C(=O)NCC(=O)OCCC)C=C1