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DIMER_B;2,2'-((2-R,3-S,7-R,8-S)-1,6-BIS-(6,7-DIHYDRO-5-H-PYRAZOLO-[1.2-A]-[1.2.4]-TRIAZOL-4-IUM-6-YLTHIO)-2,7-DIMETHYL-5,10-DIOXO-2,3,5,7,8,10-HEXAHYDRO

View entire compound with spectra: 1 NMR

DIMER_B;2,2'-((2-R,3-S,7-R,8-S)-1,6-BIS-(6,7-DIHYDRO-5-H-PYRAZOLO-[1.2-A]-[1.2.4]-TRIAZOL-4-IUM-6-YLTHIO)-2,7-DIMETHYL-5,10-DIOXO-2,3,5,7,8,10-HEXAHYDRO
SpectraBase Compound ID 8hXerwoOAOA
InChI InChI=1S/C30H36N8O8S2/c1-13-21(19(15(3)39)29(43)44)37-23(25(13)47-17-5-33-9-31-10-34(33)6-17)27(41)38-22(20(16(4)40)30(45)46)14(2)26(24(38)28(37)42)48-18-7-35-11-32-12-36(35)8-18/h9-22,39-40H,5-8H2,1-4H3/t13-,14-,15-,16-,19-,20-,21-,22-/m1/s1
InChIKey GEATXXBRHOJLRZ-AMOPYFNSSA-N
Mol Weight 700.8 g/mol
Molecular Formula C30H36N8O8S2
Exact Mass 700.209752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqrmoGCR3Rj
Name DIMER_B;2,2'-((2-R,3-S,7-R,8-S)-1,6-BIS-(6,7-DIHYDRO-5-H-PYRAZOLO-[1.2-A]-[1.2.4]-TRIAZOL-4-IUM-6-YLTHIO)-2,7-DIMETHYL-5,10-DIOXO-2,3,5,7,8,10-HEXAHYDRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36N8O8S2
InChI InChI=1S/C30H36N8O8S2/c1-13-21(19(15(3)39)29(43)44)37-23(25(13)47-17-5-33-9-31-10-34(33)6-17)27(41)38-22(20(16(4)40)30(45)46)14(2)26(24(38)28(37)42)48-18-7-35-11-32-12-36(35)8-18/h9-22,39-40H,5-8H2,1-4H3/t13-,14-,15-,16-,19-,20-,21-,22-/m1/s1
InChIKey GEATXXBRHOJLRZ-AMOPYFNSSA-N
Literature Reference Author M.XIA,T.J.HANG,F.ZHANG,X.M.LI,X.Y.XU
Literature Reference Citation J.PHARM.BIOM.ANAL.,49,937(2009)
Literature Reference DOI 10.1016/j.jpba.2009.02.002
Molecular Weight 700.785 g/mol
Solvent D2O
Source File Reference UWMZ44266