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6A,8-DIPHENYL-11-OXOPERHYDROISOINDOLO-[2.1-A]-[3.1]-BENZOXAZINE
SpectraBase Compound ID C45fYqGgB0D
InChI InChI=1S/C27H31NO2/c29-26-23-16-15-20(19-9-3-1-4-10-19)17-24(23)27(22-12-5-2-6-13-22)28(26)25-14-8-7-11-21(25)18-30-27/h1-6,9-10,12-13,20-21,23-25H,7-8,11,14-18H2/t20-,21+,23-,24-,25+,27-/m1/s1
InChIKey LITATJACDKKMPT-OAVPMITASA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bgQ0LFBVp6
Name 6A,8-DIPHENYL-11-OXOPERHYDROISOINDOLO-[2.1-A]-[3.1]-BENZOXAZINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c29-26-23-16-15-20(19-9-3-1-4-10-19)17-24(23)27(22-12-5-2-6-13-22)28(26)25-14-8-7-11-21(25)18-30-27/h1-6,9-10,12-13,20-21,23-25H,7-8,11,14-18H2/t20-,21+,23-,24-,25+,27-/m1/s1
InChIKey LITATJACDKKMPT-OAVPMITASA-N
Literature Reference Author P.SOHAR,A.CSAMPAI,G.MAGYARFALVI,A.E.SZABO,G.STAJER
Literature Reference Citation MH.CHEM.,135,1519(2004)
Literature Reference DOI 10.1007/s00706-004-0190-x
Molecular Weight 401.549 g/mol
Solvent CDCl3
Source File Reference UWMZ10666