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3,6-DI-(3-BENZYL-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 CHsu9QTCfHb
InChI InChI=1S/C34H32N12O2/c47-33-43(41-31(21-25-13-5-1-6-14-25)45(33)39-27-17-9-3-10-18-27)23-29-35-37-30(38-36-29)24-44-34(48)46(40-28-19-11-4-12-20-28)32(42-44)22-26-15-7-2-8-16-26/h1-20,39-40H,21-24H2,(H,35,36)(H,37,38)
InChIKey DIOWHFGILHKADK-UHFFFAOYSA-N
Mol Weight 640.7 g/mol
Molecular Formula C34H32N12O2
Exact Mass 640.277118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3wIV8FHCWd
Name 3,6-DI-(3-BENZYL-5-OXO-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H32N12O2
InChI InChI=1S/C34H32N12O2/c47-33-43(41-31(21-25-13-5-1-6-14-25)45(33)39-27-17-9-3-10-18-27)23-29-35-37-30(38-36-29)24-44-34(48)46(40-28-19-11-4-12-20-28)32(42-44)22-26-15-7-2-8-16-26/h1-20,39-40H,21-24H2,(H,35,36)(H,37,38)
InChIKey DIOWHFGILHKADK-UHFFFAOYSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 640.707 g/mol
Solvent DMSO-D6
Source File Reference UWLU5951