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1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-(NAPHTHALENTHIO)-ETHANONE
SpectraBase Compound ID CgQ3EXIksDc
InChI InChI=1S/C28H29N5O3S/c1-2-25-29-27(33(35)36)28(32(25)19-21-9-4-3-5-10-21)31-17-15-30(16-18-31)26(34)20-37-24-14-8-12-22-11-6-7-13-23(22)24/h3-14H,2,15-20H2,1H3
InChIKey NCDOASBTDDTICU-UHFFFAOYSA-N
Mol Weight 515.63 g/mol
Molecular Formula C28H29N5O3S
Exact Mass 515.199111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EY2g0aaTFrk
Name 1-[4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL]-2-(NAPHTHALENTHIO)-ETHANONE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29N5O3S
InChI InChI=1S/C28H29N5O3S/c1-2-25-29-27(33(35)36)28(32(25)19-21-9-4-3-5-10-21)31-17-15-30(16-18-31)26(34)20-37-24-14-8-12-22-11-6-7-13-23(22)24/h3-14H,2,15-20H2,1H3
InChIKey NCDOASBTDDTICU-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 515.630 g/mol
Solvent Unknown
Source File Reference UWLU79033