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2-METHYL-4,4,5-TRIPHENYL-5H,6H-PYRAZOLO-[1,5-D]-[4]-BENZAZEPIN-6-ONE
SpectraBase Compound ID 15iPNRWbTVF
InChI InChI=1S/C31H24N2O/c1-22-21-28-26-19-11-12-20-27(26)30(34)29(23-13-5-2-6-14-23)31(33(28)32-22,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-21,29H,1H3
InChIKey BCQTXYIIYRVFBZ-UHFFFAOYSA-N
Mol Weight 440.55 g/mol
Molecular Formula C31H24N2O
Exact Mass 440.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BNaedjdnvE
Name 2-METHYL-4,4,5-TRIPHENYL-5H,6H-PYRAZOLO-[1,5-D]-[4]-BENZAZEPIN-6-ONE
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H24N2O
InChI InChI=1S/C31H24N2O/c1-22-21-28-26-19-11-12-20-27(26)30(34)29(23-13-5-2-6-14-23)31(33(28)32-22,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-21,29H,1H3
InChIKey BCQTXYIIYRVFBZ-UHFFFAOYSA-N
Literature Reference Author E.E.SCHWEIZER,Z.CAO,A.L.RHEINGOLD,M.BRUCH
Literature Reference Citation J.ORG.CHEM.,58,4339(1993)
Literature Reference DOI 10.1021/jo00068a032
Molecular Weight 440.544 g/mol
Solvent CDCl3
Source File Reference UWGE2235