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1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-(4-METHOXYPHENYLTHIO)-ETHANONE
SpectraBase Compound ID IamwXqHlCH4
InChI InChI=1S/C25H29N5O4S/c1-3-22-26-24(30(32)33)25(29(22)17-19-7-5-4-6-8-19)28-15-13-27(14-16-28)23(31)18-35-21-11-9-20(34-2)10-12-21/h4-12H,3,13-18H2,1-2H3
InChIKey QLHIQPWOONFFAP-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C25H29N5O4S
Exact Mass 495.194026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8n9Ur6RIMei
Name 1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-(4-METHOXYPHENYLTHIO)-ETHANONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29N5O4S
InChI InChI=1S/C25H29N5O4S/c1-3-22-26-24(30(32)33)25(29(22)17-19-7-5-4-6-8-19)28-15-13-27(14-16-28)23(31)18-35-21-11-9-20(34-2)10-12-21/h4-12H,3,13-18H2,1-2H3
InChIKey QLHIQPWOONFFAP-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 495.596 g/mol
Solvent Unknown
Source File Reference UWLU79030