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6-METHYL-4-(3'-METHYL-5'-OXO-1'-PARA-TOLYL-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-TOLYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
SpectraBase Compound ID 6lsBZEc0mFw
InChI InChI=1S/C14H14N6O2S/c1-8-4-6-11(7-5-8)18-14(22)19(10(3)17-18)20-12(21)9(2)15-16-13(20)23/h4-7H,1-3H3,(H,16,23)
InChIKey YZLJGQLBZVVWAS-UHFFFAOYSA-N
Mol Weight 330.37 g/mol
Molecular Formula C14H14N6O2S
Exact Mass 330.089895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3M8t7ySxlEV
Name 6-METHYL-4-(3'-METHYL-5'-OXO-1'-PARA-TOLYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N6O2S
InChI InChI=1S/C14H14N6O2S/c1-8-4-6-11(7-5-8)18-14(22)19(10(3)17-18)20-12(21)9(2)15-16-13(20)23/h4-7H,1-3H3,(H,16,23)
InChIKey YZLJGQLBZVVWAS-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 330.364 g/mol
Solvent CDCl3
Source File Reference UWBT11816