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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 Ec6alZA80Ty
Name (3AR, 4S,7R,7aS)-11,11-diethoxy-5,6-dihydro-3-phenyl-1H,3H-4,7-methano-3a,7a-propanoisoindol-1,3-dione
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SF = 200 MHz
Literature Reference Can. J. Chem. 63, 3233 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3