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N,N'-(2,2'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE)-BIS-(AZANEDIYL))-BIS-(THIOXOMETHYLENE)-BIS-(AZANEDIYL)-BIS-(ETHANE-2,1-DIYL))-BIS-(N-ETHOXY

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N,N'-(2,2'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE)-BIS-(AZANEDIYL))-BIS-(THIOXOMETHYLENE)-BIS-(AZANEDIYL)-BIS-(ETHANE-2,1-DIYL))-BIS-(N-ETHOXY
SpectraBase Compound ID Jt8Vlf30l8k
InChI InChI=1S/C34H39N9O10S4/c1-3-52-40(56(48,49)31-11-7-5-9-29(31)42(44)45)23-21-35-33(54)38-27-17-13-25(14-18-27)37-26-15-19-28(20-16-26)39-34(55)36-22-24-41(53-4-2)57(50,51)32-12-8-6-10-30(32)43(46)47/h5-20,37H,3-4,21-24H2,1-2H3,(H2,35,38,54)(H2,36,39,55)
InChIKey HEWIBJBIHGCDPN-UHFFFAOYSA-N
Mol Weight 862.0 g/mol
Molecular Formula C34H39N9O10S4
Exact Mass 861.170273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1hvh06G6em
Name N,N'-(2,2'-(4,4'-AZANEDIYLBIS-(4,1-PHENYLENE)-BIS-(AZANEDIYL))-BIS-(THIOXOMETHYLENE)-BIS-(AZANEDIYL)-BIS-(ETHANE-2,1-DIYL))-BIS-(N-ETHOXY
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H39N9O10S4
InChI InChI=1S/C34H39N9O10S4/c1-3-52-40(56(48,49)31-11-7-5-9-29(31)42(44)45)23-21-35-33(54)38-27-17-13-25(14-18-27)37-26-15-19-28(20-16-26)39-34(55)36-22-24-41(53-4-2)57(50,51)32-12-8-6-10-30(32)43(46)47/h5-20,37H,3-4,21-24H2,1-2H3,(H2,35,38,54)(H2,36,39,55)
InChIKey HEWIBJBIHGCDPN-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 861.978 g/mol
Solvent CDCl3
Source File Reference UWMZ47143