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ETHYL-2-[2-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-OXOETHYLTHIO]-ACETATE
SpectraBase Compound ID ABJvYXhizHj
InChI InChI=1S/C22H29N5O5S/c1-3-18-23-21(27(30)31)22(26(18)14-17-8-6-5-7-9-17)25-12-10-24(11-13-25)19(28)15-33-16-20(29)32-4-2/h5-9H,3-4,10-16H2,1-2H3
InChIKey ZKDQDTWLGPJRET-UHFFFAOYSA-N
Mol Weight 475.56 g/mol
Molecular Formula C22H29N5O5S
Exact Mass 475.18894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fb9QkSFjVf
Name ETHYL-2-[2-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-OXOETHYLTHIO]-ACETATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29N5O5S
InChI InChI=1S/C22H29N5O5S/c1-3-18-23-21(27(30)31)22(26(18)14-17-8-6-5-7-9-17)25-12-10-24(11-13-25)19(28)15-33-16-20(29)32-4-2/h5-9H,3-4,10-16H2,1-2H3
InChIKey ZKDQDTWLGPJRET-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 475.563 g/mol
Solvent Unknown
Source File Reference UWLU79034