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N,N'-(2,2'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE)-BIS-(AZANEDIYL))-BIS-(THIOXOMETHYLENE))-BIS-(N-METHOXY
SpectraBase Compound ID 91a4OPvWdS9
InChI InChI=1S/C32H35N9O10S4/c1-50-38(54(46,47)29-9-5-3-7-27(29)40(42)43)21-19-33-31(52)36-25-15-11-23(12-16-25)35-24-13-17-26(18-14-24)37-32(53)34-20-22-39(51-2)55(48,49)30-10-6-4-8-28(30)41(44)45/h3-18,35H,19-22H2,1-2H3,(H2,33,36,52)(H2,34,37,53)
InChIKey NDBPVOXHBXFZBK-UHFFFAOYSA-N
Mol Weight 833.9 g/mol
Molecular Formula C32H35N9O10S4
Exact Mass 833.138973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lRie1yCOKw
Name N,N'-(2,2'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE)-BIS-(AZANEDIYL))-BIS-(THIOXOMETHYLENE))-BIS-(N-METHOXY
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H35N9O10S4
InChI InChI=1S/C32H35N9O10S4/c1-50-38(54(46,47)29-9-5-3-7-27(29)40(42)43)21-19-33-31(52)36-25-15-11-23(12-16-25)35-24-13-17-26(18-14-24)37-32(53)34-20-22-39(51-2)55(48,49)30-10-6-4-8-28(30)41(44)45/h3-18,35H,19-22H2,1-2H3,(H2,33,36,52)(H2,34,37,53)
InChIKey NDBPVOXHBXFZBK-UHFFFAOYSA-N
Literature Reference Author L.NIETO,A.MASCARAQUE,F.MILLER,F.GLACIAL,C.R.MARTINEZ,M.KAISE R,R.BRUN,C.DARDONVIL
Literature Reference Citation J.MED.CHEM.,54,485(2011)
Literature Reference DOI 10.1021/jm101335q
Molecular Weight 833.924 g/mol
Solvent CDCl3
Source File Reference UWMZ47142