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(3AR, 4R,7S,7aS)-11,11-diethoxy-5,6-dihydro-2-phenyl-1H,3H-4,7-methano-3a,7a-propanoisoindol-1,3-dione
SpectraBase Compound ID APDoXIsaNbZ
InChI InChI=1S/C22H27NO4/c1-3-26-22(27-4-2)16-11-12-17(22)21-14-8-13-20(16,21)18(24)23(19(21)25)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3/t16-,17+,20+,21-
InChIKey IGTKOMIZLCTFCW-BTYSMDAFSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12Neo8qxVtU
Name (3AR,4R,7S,7AS)-11,11-DIETHOXY-5,6-DIHYDRO-2-PHENYL-1H,3H-4,7-METHANO-3A,7A-PROPANOISOINDOL-1,3-DIONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-3-26-22(27-4-2)16-11-12-17(22)21-14-8-13-20(16,21)18(24)23(19(21)25)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3/t16-,17+,20+,21-
InChIKey IGTKOMIZLCTFCW-BTYSMDAFSA-N
Literature Reference Author P.CAMPS,J.ALIAGA,M.FIGUEREDO,R.ORTUNO,A.DE-GOMEZ,M.SANTOS,J. CASTANE,M.FELIZ
Literature Reference Citation CAN.J.CHEM.,63,3233(1985)
Literature Reference DOI 10.1139/v85-535
Molecular Weight 369.461 g/mol
Solvent CDCl3
Source File Reference UWGB487