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

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#16G;N,N'-[(3S,4S)-1-[2-[2-[(4-CHLORO-2-METHYL-1-PIPERIDIN-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-(4-NITRO
SpectraBase Compound ID 3hMqLtdaN4V
InChI InChI=1S/C29H35ClN10O9S2/c1-20-32-29(30)27(38(20)19-36-13-3-2-4-14-36)15-31-33-28(41)18-37-16-25(34-50(46,47)23-9-5-21(6-10-23)39(42)43)26(17-37)35-51(48,49)24-11-7-22(8-12-24)40(44)45/h5-12,15,25-26,34-35H,2-4,13-14,16-19H2,1H3,(H,33,41)/b31-15-/t25-,26-/m0/s1
InChIKey YVYDDASBSWUPLH-BSZYPEMISA-N
Mol Weight 767.2 g/mol
Molecular Formula C29H35ClN10O9S2
Exact Mass 766.171843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CC9XRuCuidS
Name #16G;N,N'-[(3S,4S)-1-[2-[2-[(4-CHLORO-2-METHYL-1-PIPERIDIN-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-(4-NITRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35ClN10O9S2
InChI InChI=1S/C29H35ClN10O9S2/c1-20-32-29(30)27(38(20)19-36-13-3-2-4-14-36)15-31-33-28(41)18-37-16-25(34-50(46,47)23-9-5-21(6-10-23)39(42)43)26(17-37)35-51(48,49)24-11-7-22(8-12-24)40(44)45/h5-12,15,25-26,34-35H,2-4,13-14,16-19H2,1H3,(H,33,41)/b31-15-/t25-,26-/m0/s1
InChIKey YVYDDASBSWUPLH-BSZYPEMISA-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 767.231 g/mol
Solvent Unknown
Source File Reference UWLU78193