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6-METHYL-4-(3'-METHYL-5'-OXO-1'-PARA-CHLOROPHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE

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6-METHYL-4-(3'-METHYL-5'-OXO-1'-PARA-CHLOROPHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
SpectraBase Compound ID CuTyQSsedfy
InChI InChI=1S/C13H11ClN6O2S/c1-7-11(21)20(12(23)16-15-7)19-8(2)17-18(13(19)22)10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,16,23)
InChIKey CRBALWHJQCEWHS-UHFFFAOYSA-N
Mol Weight 350.78 g/mol
Molecular Formula C13H11ClN6O2S
Exact Mass 350.035272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6uYSpUQiwI
Name 6-METHYL-4-(3'-METHYL-5'-OXO-1'-PARA-CHLOROPHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClN6O2S
InChI InChI=1S/C13H11ClN6O2S/c1-7-11(21)20(12(23)16-15-7)19-8(2)17-18(13(19)22)10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,16,23)
InChIKey CRBALWHJQCEWHS-UHFFFAOYSA-N
Literature Reference Author R.R.KAMBLE,B.S.SUDHA
Literature Reference Citation J.CHEM.SCI.,118,191(2006)
Literature Reference DOI 10.1007/bf02708472
Molecular Weight 350.782 g/mol
Solvent CDCl3
Source File Reference UWBT11818