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11C-BENZYL-9,10-(METHYLENEDIOXO)-4-PHENYL-1,2,3,7,11B,11C-HEXAHYDROPYRROLO-(3,2,1-DE)-PHENANTHRIDIN-5-ONE
SpectraBase Compound ID M5Is8OTlRS
InChI InChI=1S/C29H25NO3/c31-28-27(20-10-5-2-6-11-20)24-13-7-12-23-22-15-26-25(32-18-33-26)14-21(22)17-30(28)29(23,24)16-19-8-3-1-4-9-19/h1-6,8-11,14-15,23H,7,12-13,16-18H2
InChIKey YSFMTUURBNOAFD-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C29H25NO3
Exact Mass 435.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lwZCGmCM2l
Name 11C-BENZYL-9,10-(METHYLENEDIOXO)-4-PHENYL-1,2,3,7,11B,11C-HEXAHYDROPYRROLO-(3,2,1-DE)-PHENANTHRIDIN-5-ONE
Compound Number 68
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H25NO3
InChI InChI=1S/C29H25NO3/c31-28-27(20-10-5-2-6-11-20)24-13-7-12-23-22-15-26-25(32-18-33-26)14-21(22)17-30(28)29(23,24)16-19-8-3-1-4-9-19/h1-6,8-11,14-15,23H,7,12-13,16-18H2
InChIKey YSFMTUURBNOAFD-UHFFFAOYSA-N
Literature Reference Author C.BOUAUCHEAU,A.PARLIER,H.RUDLER
Literature Reference Citation J.ORG.CHEM.,62,7247(1997)
Literature Reference DOI 10.1021/jo970720x
Molecular Weight 435.522 g/mol
Solvent CDCl3
Source File Reference UWSP10180