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DIMETHYL-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
SpectraBase Compound ID 4cfaciOsZah
InChI InChI=1S/C22H22N8S6/c1-29-19(33-17(27-29)15-11-7-5-8-12-15)23-25-21(31-3)35-36-22(32-4)26-24-20-30(2)28-18(34-20)16-13-9-6-10-14-16/h5-14H,1-4H3/b23-19-,24-20+,25-21+,26-22+
InChIKey LRDLSFAYVLHJEY-QDAVDCPHSA-N
Mol Weight 590.8 g/mol
Molecular Formula C22H22N8S6
Exact Mass 590.02917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqxSk6m0QM5
Name DIMETHYL-BIS-(3-METHYL-5-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YLIDENE)-(THIOPEROXYDICARBONOHYDRAZONATE)
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N8S6
InChI InChI=1S/C22H22N8S6/c1-29-19(33-17(27-29)15-11-7-5-8-12-15)23-25-21(31-3)35-36-22(32-4)26-24-20-30(2)28-18(34-20)16-13-9-6-10-14-16/h5-14H,1-4H3/b23-19-,24-20+,25-21+,26-22+
InChIKey LRDLSFAYVLHJEY-QDAVDCPHSA-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 590.830 g/mol
Solvent CDCl3
Source File Reference WANG2419