For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,6-DI-(3-METHYL-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 AVtrjwrvkID
InChI InChI=1S/C22H24N12O2/c1-15-27-31(21(35)33(15)29-17-9-5-3-6-10-17)13-19-23-25-20(26-24-19)14-32-22(36)34(16(2)28-32)30-18-11-7-4-8-12-18/h3-12,29-30H,13-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKey KWOUFPXXBHPULR-UHFFFAOYSA-N
Mol Weight 488.52 g/mol
Molecular Formula C22H24N12O2
Exact Mass 488.214518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DrkIShe1Nnb
Name 3,6-DI-(3-METHYL-5-OXO-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N12O2
InChI InChI=1S/C22H24N12O2/c1-15-27-31(21(35)33(15)29-17-9-5-3-6-10-17)13-19-23-25-20(26-24-19)14-32-22(36)34(16(2)28-32)30-18-11-7-4-8-12-18/h3-12,29-30H,13-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKey KWOUFPXXBHPULR-UHFFFAOYSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 488.512 g/mol
Solvent DMSO-D6
Source File Reference UWLU5948