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2-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1,4-DIPHENYL-1,4-BUTANEDIONE
SpectraBase Compound ID 6P1L4Szu5dU
InChI InChI=1S/C33H26N4O2/c38-28(23-13-5-1-6-14-23)21-27(32(39)26-19-11-4-12-20-26)29-30(24-15-7-2-8-16-24)36-33-34-22-35-37(33)31(29)25-17-9-3-10-18-25/h1-20,22,27,31H,21H2,(H,34,35,36)
InChIKey NWTPPLGAWKHDGO-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C33H26N4O2
Exact Mass 510.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmX2DdyRsE
Name 2-(4,7-DIHYDRO-5,7-DIPHENYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-6-YL)-1,4-DIPHENYL-1,4-BUTANEDIONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H26N4O2
InChI InChI=1S/C33H26N4O2/c38-28(23-13-5-1-6-14-23)21-27(32(39)26-19-11-4-12-20-26)29-30(24-15-7-2-8-16-24)36-33-34-22-35-37(33)31(29)25-17-9-3-10-18-25/h1-20,22,27,31H,21H2,(H,34,35,36)
InChIKey NWTPPLGAWKHDGO-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 510.595 g/mol
Solvent DMSO-D6
Source File Reference UWMS22963