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1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-CHLOROMETHYLENE-KETONE
SpectraBase Compound ID 9OrgA0KM9sT
InChI InChI=1S/C18H22ClN5O3/c1-2-15-20-17(24(26)27)18(23(15)13-14-6-4-3-5-7-14)22-10-8-21(9-11-22)16(25)12-19/h3-7H,2,8-13H2,1H3
InChIKey VBZXDMTVHQSGRO-UHFFFAOYSA-N
Mol Weight 391.86 g/mol
Molecular Formula C18H22ClN5O3
Exact Mass 391.141117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6x1LrdYdTRX
Name 1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-CHLOROMETHYLENE-KETONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22ClN5O3
InChI InChI=1S/C18H22ClN5O3/c1-2-15-20-17(24(26)27)18(23(15)13-14-6-4-3-5-7-14)22-10-8-21(9-11-22)16(25)12-19/h3-7H,2,8-13H2,1H3
InChIKey VBZXDMTVHQSGRO-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 391.857 g/mol
Solvent Unknown
Source File Reference UWLU79027