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BIS-(4-METHYLBENZYL)-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
SpectraBase Compound ID 4nf57Xve4k2
InChI InChI=1S/C36H34N8S6/c1-25-15-19-27(20-16-25)23-45-35(39-37-33-43(3)41-31(47-33)29-11-7-5-8-12-29)49-50-36(46-24-28-21-17-26(2)18-22-28)40-38-34-44(4)42-32(48-34)30-13-9-6-10-14-30/h5-22H,23-24H2,1-4H3/b37-33+,38-34+,39-35-,40-36+
InChIKey KOECFMQPPOEGGM-KDSKYVGASA-N
Mol Weight 771.1 g/mol
Molecular Formula C36H34N8S6
Exact Mass 770.12307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMz0nVpNtO
Name BIS-(4-METHYLBENZYL)-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
Compound Number 18D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H34N8S6
InChI InChI=1S/C36H34N8S6/c1-25-15-19-27(20-16-25)23-45-35(39-37-33-43(3)41-31(47-33)29-11-7-5-8-12-29)49-50-36(46-24-28-21-17-26(2)18-22-28)40-38-34-44(4)42-32(48-34)30-13-9-6-10-14-30/h5-22H,23-24H2,1-4H3/b37-33+,38-34+,39-35-,40-36+
InChIKey KOECFMQPPOEGGM-KDSKYVGASA-N
Literature Reference Author J.B.F.DUNSTAN,G.M.ELSEY,R.A.RUSSELL,G.P.SAVAGE,G.W.SIMPSON,E .R.T.TIEKINK
Literature Reference Citation AUSTR.J.CHEM.,51,499(1998)
Literature Reference DOI 10.1071/C97157
Molecular Weight 771.080 g/mol
Solvent CDCl3
Source File Reference WANG2421