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

*Links on SpectraBase are not permalinks.
3,6-DI-(5-OXO-3-PHENYL-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-5-ON-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
SpectraBase Compound ID J6p96mYAB4z
InChI InChI=1S/C32H28N12O2/c45-31-41(39-29(23-13-5-1-6-14-23)43(31)37-25-17-9-3-10-18-25)21-27-33-35-28(36-34-27)22-42-32(46)44(38-26-19-11-4-12-20-26)30(40-42)24-15-7-2-8-16-24/h1-20,37-38H,21-22H2,(H,33,34)(H,35,36)
InChIKey MOCKZIIDHCCURN-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C32H28N12O2
Exact Mass 612.245818 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 PB9RUPjFrV
Name 3,6-DI-(5-OXO-3-PHENYL-4-PHENYLAMINO-4,5-DIHYDRO-[1,2,4]-TRIAZOL-5-ON-1-YL)-METHYL-1,4-DIHYDRO-[1,2,4,5]-TETRAZINE
Compound Number 11E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H28N12O2
InChI InChI=1S/C32H28N12O2/c45-31-41(39-29(23-13-5-1-6-14-23)43(31)37-25-17-9-3-10-18-25)21-27-33-35-28(36-34-27)22-42-32(46)44(38-26-19-11-4-12-20-26)30(40-42)24-15-7-2-8-16-24/h1-20,37-38H,21-22H2,(H,33,34)(H,35,36)
InChIKey MOCKZIIDHCCURN-UHFFFAOYSA-N
Literature Reference Author A.DEMIRBAS
Literature Reference Citation TURK.J.CHEM.,28,311(2004)
Molecular Weight 612.654 g/mol
Solvent DMSO-D6
Source File Reference UWLU5952