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6-HYDROXY-1-(4'-METHYL-2',6',7'-TRIOXABICYCLO-[2.2.2]-OCTYL)-HEX-1-YN-3-ONE
SpectraBase Compound ID 1nEvwVaRXlv
InChI InChI=1S/C12H16O5/c1-11-7-15-12(16-8-11,17-9-11)5-4-10(14)3-2-6-13/h13H,2-3,6-9H2,1H3
InChIKey FMFYZMCZYJSBRM-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYlwBC4N1zW
Name 6-HYDROXY-1-(4'-METHYL-2',6',7'-TRIOXABICYCLO-[2.2.2]-OCTYL)-HEX-1-YN-3-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-11-7-15-12(16-8-11,17-9-11)5-4-10(14)3-2-6-13/h13H,2-3,6-9H2,1H3
InChIKey FMFYZMCZYJSBRM-UHFFFAOYSA-N
Literature Reference Author M.A.BRIMBLE,F.A.FARES,P.TURNER
Literature Reference Citation AUSTR.J.CHEM.,53,845(2000)
Literature Reference DOI 10.1071/CH00111
Molecular Weight 240.256 g/mol
Solvent CDCl3
Source File Reference UWSI3118