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

*Links on SpectraBase are not permalinks.
3,6-DI-(5-OXO-3-N-PROPYL-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
SpectraBase Compound ID 3nttyFOcRih
InChI InChI=1S/C26H32N12O2/c1-3-11-23-33-35(25(39)37(23)31-19-13-7-5-8-14-19)17-21-27-29-22(30-28-21)18-36-26(40)38(24(34-36)12-4-2)32-20-15-9-6-10-16-20/h5-10,13-16,31-32H,3-4,11-12,17-18H2,1-2H3,(H,27,28)(H,29,30)
InChIKey FILSHDJLSJGYKD-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C26H32N12O2
Exact Mass 544.277118 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 1RtF83SS0q3
Name 3,6-DI-(5-OXO-3-N-PROPYL-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N12O2
InChI InChI=1S/C26H32N12O2/c1-3-11-23-33-35(25(39)37(23)31-19-13-7-5-8-14-19)17-21-27-29-22(30-28-21)18-36-26(40)38(24(34-36)12-4-2)32-20-15-9-6-10-16-20/h5-10,13-16,31-32H,3-4,11-12,17-18H2,1-2H3,(H,27,28)(H,29,30)
InChIKey FILSHDJLSJGYKD-UHFFFAOYSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 544.619 g/mol
Solvent DMSO-D6
Source File Reference UWLU5950