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3-METHYL-5-PARA-NITROPHENYL-2,2-DIPHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID JMYwpUb5lrl
InChI InChI=1S/C21H17N3O2S/c1-23-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)27-20(22-23)16-12-14-19(15-13-16)24(25)26/h2-15H,1H3
InChIKey WBLVROUHFVARPQ-UHFFFAOYSA-N
Mol Weight 375.45 g/mol
Molecular Formula C21H17N3O2S
Exact Mass 375.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRtCvN2LU9q
Name 3-METHYL-5-PARA-NITROPHENYL-2,2-DIPHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 24C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N3O2S
InChI InChI=1S/C21H17N3O2S/c1-23-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)27-20(22-23)16-12-14-19(15-13-16)24(25)26/h2-15H,1H3
InChIKey WBLVROUHFVARPQ-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 375.445 g/mol
Solvent CDCl3
Source File Reference WANG2425