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

View entire compound with spectra: 2 NMR

5-[[[3-(2-FLUOROPHENYL)-UREIDO]-IMINO-METHYL]-CARBAMOYL]-1-(2-MORPHOLIN-4-YL-ETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 70iduAAoHL7
InChI InChI=1S/C20H24FN7O5/c1-32-18(30)15-16(28(12-23-15)7-6-27-8-10-33-11-9-27)17(29)25-19(22)26-20(31)24-14-5-3-2-4-13(14)21/h2-5,12H,6-11H2,1H3,(H4,22,24,25,26,29,31)
InChIKey BDLWMDQTUUYSFO-UHFFFAOYSA-N
Mol Weight 461.45 g/mol
Molecular Formula C20H24FN7O5
Exact Mass 461.182295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5V2cCt7fwPQ
Name 5-[[[3-(2-FLUOROPHENYL)-UREIDO]-IMINO-METHYL]-CARBAMOYL]-1-(2-MORPHOLIN-4-YL-ETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC-ACID-METHYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24FN7O5
InChI InChI=1S/C20H24FN7O5/c1-32-18(30)15-16(28(12-23-15)7-6-27-8-10-33-11-9-27)17(29)25-19(22)26-20(31)24-14-5-3-2-4-13(14)21/h2-5,12H,6-11H2,1H3,(H4,22,24,25,26,29,31)
InChIKey BDLWMDQTUUYSFO-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
Molecular Weight 461.453 g/mol
Solvent CDCl3
Source File Reference UWIR9837