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3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1-(4-METHYLPHENYL)-3-PHENYL-1-PROPANONE
SpectraBase Compound ID 4Zad7x3I7D9
InChI InChI=1S/C33H28N4O/c1-23-17-19-25(20-18-23)29(38)21-28(24-11-5-2-6-12-24)30-31(26-13-7-3-8-14-26)36-33-34-22-35-37(33)32(30)27-15-9-4-10-16-27/h2-20,22,28,32H,21H2,1H3,(H,34,35,36)
InChIKey YMEDMOSJHNKFMQ-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C33H28N4O
Exact Mass 496.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpZ4KW51p5t
Name 3-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1-(4-METHYLPHENYL)-3-PHENYL-1-PROPANONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28N4O
InChI InChI=1S/C33H28N4O/c1-23-17-19-25(20-18-23)29(38)21-28(24-11-5-2-6-12-24)30-31(26-13-7-3-8-14-26)36-33-34-22-35-37(33)32(30)27-15-9-4-10-16-27/h2-20,22,28,32H,21H2,1H3,(H,34,35,36)
InChIKey YMEDMOSJHNKFMQ-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 496.612 g/mol
Solvent DMSO-D6
Source File Reference UWMS22962