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5-[[[3-(2-FLUOROPHENYL)-UREIDO]-IMINO-METHYL]-CARBAMOYL]-3-(2-PIPERIDIN-1-YL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC-ACID-METHYLESTER

View entire compound with spectra: 2 NMR

5-[[[3-(2-FLUOROPHENYL)-UREIDO]-IMINO-METHYL]-CARBAMOYL]-3-(2-PIPERIDIN-1-YL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 74pdaDN051i
InChI InChI=1S/C21H26FN7O4/c1-33-19(31)17-16(24-13-29(17)12-11-28-9-5-2-6-10-28)18(30)26-20(23)27-21(32)25-15-8-4-3-7-14(15)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H4,23,25,26,27,30,32)
InChIKey MNHJCXAOYOKGPN-UHFFFAOYSA-N
Mol Weight 459.48 g/mol
Molecular Formula C21H26FN7O4
Exact Mass 459.203031 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6NwH3JcyoW
Name 5-[[[3-(2-FLUOROPHENYL)-UREIDO]-IMINO-METHYL]-CARBAMOYL]-3-(2-PIPERIDIN-1-YL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC-ACID-METHYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26FN7O4
InChI InChI=1S/C21H26FN7O4/c1-33-19(31)17-16(24-13-29(17)12-11-28-9-5-2-6-10-28)18(30)26-20(23)27-21(32)25-15-8-4-3-7-14(15)22/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H4,23,25,26,27,30,32)
InChIKey MNHJCXAOYOKGPN-UHFFFAOYSA-N
Literature Reference Author K.WITTINE,K.POLJAK,M.KOVAC,D.MAKUC,J.PLAVEC,J.BALZARINI,T.MA RTINOVIC,S.K.PAVELIC
Literature Reference Citation MOLECULES,18,13385(2013)
Literature Reference DOI 10.3390/molecules181113385
Solvent DMSO-D6
Source File Reference UWIR9838