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2,4-DIMETHYL-4-(PARA-METHYLPHENYL)-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
SpectraBase Compound ID GlSWV0sUjNJ
InChI InChI=1S/C27H24N2O/c1-19-13-15-22(16-14-19)27(3)29-25(17-20(2)28-29)23-11-7-8-12-24(23)26(30-27)18-21-9-5-4-6-10-21/h4-18H,1-3H3/b26-18-/t27-/m1/s1
InChIKey XIFDVZVYIBRASS-KAOBMCRLSA-N
Mol Weight 392.5 g/mol
Molecular Formula C27H24N2O
Exact Mass 392.188863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SwuSTX5wJY
Name 2,4-DIMETHYL-4-(PARA-METHYLPHENYL)-6-(PHENYLMETHYLENE)-5H-PYRAZOLO-[1,5-D]-[2,4]-BENZOXAZEPINE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24N2O
InChI InChI=1S/C27H24N2O/c1-19-13-15-22(16-14-19)27(3)29-25(17-20(2)28-29)23-11-7-8-12-24(23)26(30-27)18-21-9-5-4-6-10-21/h4-18H,1-3H3/b26-18-/t27-/m1/s1
InChIKey XIFDVZVYIBRASS-KAOBMCRLSA-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 392.500 g/mol
Solvent CDCl3
Source File Reference UWGE2231