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1,3,5-TRIPHENYL-9-OXO-1,2,3,4B,5,6,8A,9-OCTAHYDROPYRIDO-[3'.4':3.4]-PYRROLO-[1.2-A]-[1.3.5]-TRIAZINE-4B,8A-DICARBONITRILE
SpectraBase Compound ID 1rhHGvzFqcR
InChI InChI=1S/C31H26N6O/c1-20-21(2)34-25(22-12-6-3-7-13-22)31(19-33)28-36-26(23-14-8-4-9-15-23)35-27(24-16-10-5-11-17-24)37(28)29(38)30(20,31)18-32/h3-17,25-27,34-35H,1-2H3
InChIKey COHWZLUGAVGLBT-UHFFFAOYSA-N
Mol Weight 498.59 g/mol
Molecular Formula C31H26N6O
Exact Mass 498.216809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gYL1z22wPU
Name 1,3,5-TRIPHENYL-9-OXO-1,2,3,4B,5,6,8A,9-OCTAHYDROPYRIDO-[3'.4':3.4]-PYRROLO-[1.2-A]-[1.3.5]-TRIAZINE-4B,8A-DICARBONITRILE
Compound Number XXIII-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H26N6O
InChI InChI=1S/C31H26N6O/c1-20-21(2)34-25(22-12-6-3-7-13-22)31(19-33)28-36-26(23-14-8-4-9-15-23)35-27(24-16-10-5-11-17-24)37(28)29(38)30(20,31)18-32/h3-17,25-27,34-35H,1-2H3
InChIKey COHWZLUGAVGLBT-UHFFFAOYSA-N
Literature Reference Author Y.S.KAYUKOV,O.E.NASAKIN,Y.G.URMAN,V.N.KHRUSTALEV,V.N.NESTERO V,M.Y.ANTIPIN,A.N.LY
Literature Reference Citation CHEM.HET.COMP.,32,1200(1996)
Literature Reference DOI 10.1007/bf01169234
Molecular Weight 498.587 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ16957