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2,2,3-TRIPHENYL-5-PARA-TOLYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 1NEJn8wOyWC
InChI InChI=1S/C27H22N2S/c1-21-17-19-22(20-18-21)26-28-29(25-15-9-4-10-16-25)27(30-26,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20H,1H3
InChIKey KMEVGNAFQRHQSY-UHFFFAOYSA-N
Mol Weight 406.55 g/mol
Molecular Formula C27H22N2S
Exact Mass 406.15037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxS39G5bgdM
Name 2,2,3-TRIPHENYL-5-PARA-TOLYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 24E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22N2S
InChI InChI=1S/C27H22N2S/c1-21-17-19-22(20-18-21)26-28-29(25-15-9-4-10-16-25)27(30-26,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20H,1H3
InChIKey KMEVGNAFQRHQSY-UHFFFAOYSA-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 406.545 g/mol
Solvent CDCl3
Source File Reference WANG2427