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

*Links on SpectraBase are not permalinks.
BIS-(1H-3-ETHOXYCARBONYL-1-PHENYL-1,2,4-TRIAZOL-5-YL)-METHANE
SpectraBase Compound ID AiAG4huUFDg
InChI InChI=1S/C23H22N6O4/c1-3-32-22(30)20-24-18(28(26-20)16-11-7-5-8-12-16)15-19-25-21(23(31)33-4-2)27-29(19)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey HGTQAMWPERNELI-UHFFFAOYSA-N
Mol Weight 446.47 g/mol
Molecular Formula C23H22N6O4
Exact Mass 446.170253 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 AwRlgXnz3Tp
Name BIS-(1H-3-ETHOXYCARBONYL-1-PHENYL-1,2,4-TRIAZOL-5-YL)-METHANE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22N6O4
InChI InChI=1S/C23H22N6O4/c1-3-32-22(30)20-24-18(28(26-20)16-11-7-5-8-12-16)15-19-25-21(23(31)33-4-2)27-29(19)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey HGTQAMWPERNELI-UHFFFAOYSA-N
Literature Reference Author A.ABBOTTO,S.BRANDAMANTE,A.FACCHETTI,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,64,6756(1999)
Literature Reference DOI 10.1021/jo990687+
Molecular Weight 446.465 g/mol
Sample ID 59428
Solvent CDCl3