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6-METHYL-4-(3'-METHYL-5'-OXO-1'-PHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-OXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
SpectraBase Compound ID 8ybZJLPVTNX
InChI InChI=1S/C13H12N6O3/c1-8-11(20)19(12(21)15-14-8)18-9(2)16-17(13(18)22)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,21)
InChIKey BVHKPHZJNKOJQB-UHFFFAOYSA-N
Mol Weight 300.28 g/mol
Molecular Formula C13H12N6O3
Exact Mass 300.097088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fqp1iKMD5EE
Name 6-METHYL-4-(3'-METHYL-5'-OXO-1'-PHENYL-1,5-DIHYDRO-1,2,4-TRIAZOL-4'-YL)-3-OXO-3,4-DIHYDRO-2H-1,2,4-TRIAZIN-5-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N6O3
InChI InChI=1S/C13H12N6O3/c1-8-11(20)19(12(21)15-14-8)18-9(2)16-17(13(18)22)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,21)
InChIKey BVHKPHZJNKOJQB-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 300.277 g/mol
Solvent CDCl3
Source File Reference UWBT11810