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

View entire compound with spectra: 1 NMR

6-METHYL-4-(3'-METHYL-5'-OXO-1'-PHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
SpectraBase Compound ID GgUrXQd7gku
InChI InChI=1S/C13H12N6O2S/c1-8-11(20)19(12(22)15-14-8)18-9(2)16-17(13(18)21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,22)
InChIKey YQERRHVUJFFNNZ-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36AoYv3wfhP
Name 6-METHYL-4-(3'-METHYL-5'-OXO-1'-PHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-THIOXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N6O2S
InChI InChI=1S/C13H12N6O2S/c1-8-11(20)19(12(22)15-14-8)18-9(2)16-17(13(18)21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,22)
InChIKey YQERRHVUJFFNNZ-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 316.337 g/mol
Solvent CDCl3
Source File Reference UWBT11815