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(2R,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]-METHANOISOBENZOFURANE)

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(2R,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]-METHANOISOBENZOFURANE)
SpectraBase Compound ID 19GDLrrRMSg
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-SJASSRRFSA-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 GTUDXrmK3k2
Name (2R,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]-METHANOISOBENZOFURANE)
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-SJASSRRFSA-N
Literature Reference Author D.J.BURNELL,H.B.GOODBRAND,S.M.KAISER,Z.VALENTA
Literature Reference Citation CAN.J.CHEM.,65,154(1987)
Literature Reference DOI 10.1139/v87-024
Molecular Weight 258.317 g/mol
Solvent CDCl3
Source File Reference UWGB186