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DI-T.-BUTYL-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
SpectraBase Compound ID 5QeXwJQzDBz
InChI InChI=1S/C28H34N8S6/c1-27(2,3)39-25(31-29-23-35(7)33-21(37-23)19-15-11-9-12-16-19)41-42-26(40-28(4,5)6)32-30-24-36(8)34-22(38-24)20-17-13-10-14-18-20/h9-18H,1-8H3/b29-23-,30-24+,31-25-,32-26+
InChIKey HYEYWPNHPJQYBK-KWHZBVQOSA-N
Mol Weight 675.0 g/mol
Molecular Formula C28H34N8S6
Exact Mass 674.12307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNwMLzOy5VH
Name DI-T.-BUTYL-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
Compound Number 18C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N8S6
InChI InChI=1S/C28H34N8S6/c1-27(2,3)39-25(31-29-23-35(7)33-21(37-23)19-15-11-9-12-16-19)41-42-26(40-28(4,5)6)32-30-24-36(8)34-22(38-24)20-17-13-10-14-18-20/h9-18H,1-8H3/b29-23-,30-24+,31-25-,32-26+
InChIKey HYEYWPNHPJQYBK-KWHZBVQOSA-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 674.992 g/mol
Solvent CDCl3
Source File Reference WANG2420