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#16I;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]-
SpectraBase Compound ID 4JmJtFBYf2p
InChI InChI=1S/C29H36ClN11O9S2/c1-20-32-29(30)27(39(20)19-37-13-11-36(2)12-14-37)15-31-33-28(42)18-38-16-25(34-51(47,48)23-7-3-21(4-8-23)40(43)44)26(17-38)35-52(49,50)24-9-5-22(6-10-24)41(45)46/h3-10,15,25-26,34-35H,11-14,16-19H2,1-2H3,(H,33,42)/b31-15-/t25-,26-/m0/s1
InChIKey MEOAYWHRSMLQPW-BSZYPEMISA-N
Mol Weight 782.2 g/mol
Molecular Formula C29H36ClN11O9S2
Exact Mass 781.182742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnmEsORsQLQ
Name #16I;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]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36ClN11O9S2
InChI InChI=1S/C29H36ClN11O9S2/c1-20-32-29(30)27(39(20)19-37-13-11-36(2)12-14-37)15-31-33-28(42)18-38-16-25(34-51(47,48)23-7-3-21(4-8-23)40(43)44)26(17-38)35-52(49,50)24-9-5-22(6-10-24)41(45)46/h3-10,15,25-26,34-35H,11-14,16-19H2,1-2H3,(H,33,42)/b31-15-/t25-,26-/m0/s1
InChIKey MEOAYWHRSMLQPW-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 782.246 g/mol
Solvent Unknown
Source File Reference UWLU78195