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#16C;N,N'-[(3S,4S)-1-[2-[2-[[4-CHLORO-2-METHYL-1-4-METHYLPIPERAZIN-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-

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#16C;N,N'-[(3S,4S)-1-[2-[2-[[4-CHLORO-2-METHYL-1-4-METHYLPIPERAZIN-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-
SpectraBase Compound ID 305XTUoVycQ
InChI InChI=1S/C25H34ClN9O5S4/c1-18-28-25(26)21(35(18)17-33-9-7-32(2)8-10-33)13-27-29-22(36)16-34-14-19(30-43(37,38)23-5-3-11-41-23)20(15-34)31-44(39,40)24-6-4-12-42-24/h3-6,11-13,19-20,30-31H,7-10,14-17H2,1-2H3,(H,29,36)/b27-13-/t19-,20-/m0/s1
InChIKey FTQRBHFGIMQAPA-MXGLGDAQSA-N
Mol Weight 704.3 g/mol
Molecular Formula C25H34ClN9O5S4
Exact Mass 703.125428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2oKxUElWyH
Name #16C;N,N'-[(3S,4S)-1-[2-[2-[[4-CHLORO-2-METHYL-1-4-METHYLPIPERAZIN-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34ClN9O5S4
InChI InChI=1S/C25H34ClN9O5S4/c1-18-28-25(26)21(35(18)17-33-9-7-32(2)8-10-33)13-27-29-22(36)16-34-14-19(30-43(37,38)23-5-3-11-41-23)20(15-34)31-44(39,40)24-6-4-12-42-24/h3-6,11-13,19-20,30-31H,7-10,14-17H2,1-2H3,(H,29,36)/b27-13-/t19-,20-/m0/s1
InChIKey FTQRBHFGIMQAPA-MXGLGDAQSA-N
Literature Reference Author B.S.KUMAR,P.R.REDDY,G.MADHU,L.K.RAVIDRANATH
Literature Reference Citation D.CHEM.SINICA,3,1124(2012)
Molecular Weight 704.295 g/mol
Solvent Unknown
Source File Reference UWLU78189