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9,12B-DIPHENYL-2A,3,4,5,6,6A,8A,9,10,11,12,12A-DODECAHYDROISOINDOLO-[2,1-A]-[3,1]-BENZOXAZIN-8-ONE
SpectraBase Compound ID KhipjXeAgPy
InChI InChI=1S/C27H31NO2/c29-26-23-17-20(19-9-3-1-4-10-19)15-16-24(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 FXIDOHGRWGHDGV-WSGRUZHUSA-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 H23vW9Bc3Y3
Name 9,12B-DIPHENYL-2A,3,4,5,6,6A,8A,9,10,11,12,12A-DODECAHYDROISOINDOLO-[2,1-A]-[3,1]-BENZOXAZIN-8-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c29-26-23-17-20(19-9-3-1-4-10-19)15-16-24(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 FXIDOHGRWGHDGV-WSGRUZHUSA-N
Literature Reference Author G.STAJER,A.E.SZABO,G.BERNATH,P.SOHAR
Literature Reference Citation HETEROCYCLES,38,1061(1994)
Literature Reference DOI 10.3987/COM-93-6660
Molecular Weight 401.549 g/mol
Solvent CDCl3
Source File Reference UWRK3567