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

*Links on SpectraBase are not permalinks.
3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-3-(4-METHOXYPHENYL)-1-PHENYL-1-PROPANONE
SpectraBase Compound ID Hf2SJwZWAt4
InChI InChI=1S/C33H28N4O2/c1-39-27-19-17-23(18-20-27)28(21-29(38)24-11-5-2-6-12-24)30-31(25-13-7-3-8-14-25)36-33-34-22-35-37(33)32(30)26-15-9-4-10-16-26/h2-20,22,28,32H,21H2,1H3,(H,34,35,36)
InChIKey XTIWCYCDFPDQGB-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C33H28N4O2
Exact Mass 512.221226 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 GfDT8etLVKM
Name 3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-3-(4-METHOXYPHENYL)-1-PHENYL-1-PROPANONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28N4O2
InChI InChI=1S/C33H28N4O2/c1-39-27-19-17-23(18-20-27)28(21-29(38)24-11-5-2-6-12-24)30-31(25-13-7-3-8-14-25)36-33-34-22-35-37(33)32(30)26-15-9-4-10-16-26/h2-20,22,28,32H,21H2,1H3,(H,34,35,36)
InChIKey XTIWCYCDFPDQGB-UHFFFAOYSA-N
Literature Reference Author V.V.LIPSON,I.V.IGNATENKO,S.M.DESENKO,S.V.SHISHKINA,O.V.SHISH KIN,S.A.KOMYKHOV,N.V
Literature Reference Citation J.HETCYCL.CHEM.,40,1081(2003)
Literature Reference DOI 10.1002/jhet.5570400618
Molecular Weight 512.611 g/mol
Solvent DMSO-D6
Source File Reference UWMS22959