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(2S,3'AR, 4'S,7'R,7'aS)-3'A,4',7',7'A-tetrahydro-1',3'-dioxospiro-(bicyclo-[2.2.2]-octane-2,8'-[4,7]-methanoisobenzofuran

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(2S,3'AR, 4'S,7'R,7'aS)-3'A,4',7',7'A-tetrahydro-1',3'-dioxospiro-(bicyclo-[2.2.2]-octane-2,8'-[4,7]-methanoisobenzofuran
SpectraBase Compound ID I3u40hsA7C7
InChI InChI=1S/C16H18O3/c17-14-12-10-5-6-11(13(12)15(18)19-14)16(10)7-8-1-3-9(16)4-2-8/h5-6,8-13H,1-4,7H2/t8-,9+,10-,11+,12-,13+,16-
InChIKey ABENKPUUQGNOFX-SLWYCRMSSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BchGxLrJtHl
Name (2S,3'AR, 4'S,7'R,7'aS)-3'A,4',7',7'A-tetrahydro-1',3'-dioxospiro-(bicyclo-[2.2.2]-octane-2,8'-[4,7]-methanoisobenzofuran
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c17-14-12-10-5-6-11(13(12)15(18)19-14)16(10)7-8-1-3-9(16)4-2-8/h5-6,8-13H,1-4,7H2/t8-,9+,10-,11+,12-,13+,16-
InChIKey ABENKPUUQGNOFX-SLWYCRMSSA-N
Instrument Name SF = 080 MHz
Literature Reference Can. J. Chem. 65, 154 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3