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2-METHYL-4,4-BIS-(PARA-CHLOROPHENYL)-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
SpectraBase Compound ID BUmIAPJs6eN
InChI InChI=1S/C31H22Cl2N2O/c1-21-19-29-27-9-5-6-10-28(27)30(20-22-7-3-2-4-8-22)36-31(35(29)34-21,23-11-15-25(32)16-12-23)24-13-17-26(33)18-14-24/h2-20H,1H3/b30-20-
InChIKey UADVSYMRNMBSPO-COEJQBHMSA-N
Mol Weight 509.44 g/mol
Molecular Formula C31H22Cl2N2O
Exact Mass 508.110919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJ8UiOW1EjS
Name 2-METHYL-4,4-BIS-(PARA-CHLOROPHENYL)-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
Compound Number 9H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H22Cl2N2O
InChI InChI=1S/C31H22Cl2N2O/c1-21-19-29-27-9-5-6-10-28(27)30(20-22-7-3-2-4-8-22)36-31(35(29)34-21,23-11-15-25(32)16-12-23)24-13-17-26(33)18-14-24/h2-20H,1H3/b30-20-
InChIKey UADVSYMRNMBSPO-COEJQBHMSA-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 509.434 g/mol
Solvent CDCl3
Source File Reference UWGE2234