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METHYL-4-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-4-OXO-BUTANOATE

View entire compound with spectra: 1 NMR

METHYL-4-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-4-OXO-BUTANOATE
SpectraBase Compound ID 4EjbibtI8g4
InChI InChI=1S/2C21H27N5O5/c2*1-3-17-22-20(26(29)30)21(25(17)15-16-7-5-4-6-8-16)24-13-11-23(12-14-24)18(27)9-10-19(28)31-2/h2*4-8H,3,9-15H2,1-2H3
InChIKey ACLOVFMVJKXEHU-UHFFFAOYSA-N
Mol Weight 858.95 g/mol
Molecular Formula C42H54N10O10
Exact Mass 858.402438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO9kUuNzubw
Name METHYL-4-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-4-OXO-BUTANOATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54N10O10
InChI InChI=1S/2C21H27N5O5/c2*1-3-17-22-20(26(29)30)21(25(17)15-16-7-5-4-6-8-16)24-13-11-23(12-14-24)18(27)9-10-19(28)31-2/h2*4-8H,3,9-15H2,1-2H3
InChIKey ACLOVFMVJKXEHU-UHFFFAOYSA-N
Literature Reference Author Y.A.AL-SOUD,N.A.AL-MASOUDI,H.G.HASSAN,E.DECLERCQ,C.PANNECOUQ UE
Literature Reference Citation ACTA.PHARM.,57,379(2007)
Molecular Weight 858.952 g/mol
Solvent Unknown
Source File Reference UWLU79043