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3,6-DI-(3-ETHYL-5-OXO-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
SpectraBase Compound ID JBH1UaTuopb
InChI InChI=1S/C24H28N12O2/c1-3-21-31-33(23(37)35(21)29-17-11-7-5-8-12-17)15-19-25-27-20(28-26-19)16-34-24(38)36(22(4-2)32-34)30-18-13-9-6-10-14-18/h5-14,29-30H,3-4,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKey JMBFZLBXNAYHLD-UHFFFAOYSA-N
Mol Weight 516.57 g/mol
Molecular Formula C24H28N12O2
Exact Mass 516.245818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6M7uImaG5SM
Name 3,6-DI-(3-ETHYL-5-OXO-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28N12O2
InChI InChI=1S/C24H28N12O2/c1-3-21-31-33(23(37)35(21)29-17-11-7-5-8-12-17)15-19-25-27-20(28-26-19)16-34-24(38)36(22(4-2)32-34)30-18-13-9-6-10-14-18/h5-14,29-30H,3-4,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKey JMBFZLBXNAYHLD-UHFFFAOYSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 516.566 g/mol
Solvent DMSO-D6
Source File Reference UWLU5949