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#16H;N,N'-[(3S,4S)-1-[2-[2-[(4-CHLORO-2-METHYL-1-MORPHOLINO-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-(4-NITR
SpectraBase Compound ID 3n0t1e3Es0r
InChI InChI=1S/C28H33ClN10O10S2/c1-19-31-28(29)26(37(19)18-35-10-12-49-13-11-35)14-30-32-27(40)17-36-15-24(33-50(45,46)22-6-2-20(3-7-22)38(41)42)25(16-36)34-51(47,48)23-8-4-21(5-9-23)39(43)44/h2-9,14,24-25,33-34H,10-13,15-18H2,1H3,(H,32,40)/b30-14-/t24-,25-/m0/s1
InChIKey XIJGDUXOVCKAID-VTUNRULOSA-N
Mol Weight 769.2 g/mol
Molecular Formula C28H33ClN10O10S2
Exact Mass 768.151107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImyYNBE4LJT
Name #16H;N,N'-[(3S,4S)-1-[2-[2-[(4-CHLORO-2-METHYL-1-MORPHOLINO-1-YL-METHYL)-1H-IMIDAZOL-5-YL]-METHYLENE]-HYDRAZINYL]-2-OXOETHYL]-PYRROLIDINE-3,4-DIYL]-BIS-(4-NITR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33ClN10O10S2
InChI InChI=1S/C28H33ClN10O10S2/c1-19-31-28(29)26(37(19)18-35-10-12-49-13-11-35)14-30-32-27(40)17-36-15-24(33-50(45,46)22-6-2-20(3-7-22)38(41)42)25(16-36)34-51(47,48)23-8-4-21(5-9-23)39(43)44/h2-9,14,24-25,33-34H,10-13,15-18H2,1H3,(H,32,40)/b30-14-/t24-,25-/m0/s1
InChIKey XIJGDUXOVCKAID-VTUNRULOSA-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 769.204 g/mol
Solvent Unknown
Source File Reference UWLU78194