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4-[1-(4-METHYLPHENYL)-2-HYDROXY-3-(2-METHYL-BENZIMIDAZOLE-1-YL)-3-OXO-PROPYLAMINO]-BENZOIC-ACID
SpectraBase Compound ID Htg3mAnTpIO
InChI InChI=1S/C25H23N3O4/c1-15-7-9-17(10-8-15)22(27-19-13-11-18(12-14-19)25(31)32)23(29)24(30)28-16(2)26-20-5-3-4-6-21(20)28/h3-14,22-23,27,29H,1-2H3,(H,31,32)
InChIKey UXMFJOCORULMPC-UHFFFAOYSA-N
Mol Weight 429.48 g/mol
Molecular Formula C25H23N3O4
Exact Mass 429.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9J0kPZ5fbM
Name 4-[1-(4-METHYLPHENYL)-2-HYDROXY-3-(2-METHYL-BENZIMIDAZOLE-1-YL)-3-OXO-PROPYLAMINO]-BENZOIC-ACID
Compound Number AA(15)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23N3O4
InChI InChI=1S/C25H23N3O4/c1-15-7-9-17(10-8-15)22(27-19-13-11-18(12-14-19)25(31)32)23(29)24(30)28-16(2)26-20-5-3-4-6-21(20)28/h3-14,22-23,27,29H,1-2H3,(H,31,32)
InChIKey UXMFJOCORULMPC-UHFFFAOYSA-N
Literature Reference Author K.UMAA,K.KRISHNAKUMAR,B.DINESHKUMAR,K.KANNAN
Literature Reference Citation INT.J.CHEM.SCI.TECH.,3,9(2013)
Molecular Weight 429.475 g/mol
Solvent DMSO-D6
Source File Reference UWLU78067