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(+/-)-(1S*,3R*,5R*,7S*,8S*,9R*)-3-ETHOXY-2-OXA-TETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-6-ONE
SpectraBase Compound ID IqGD6brGZOJ
InChI InChI=1S/C13H18O3/c1-2-15-13-6-8-7-4-3-5-9(16-13)10(7)11(13)12(8)14/h7-11H,2-6H2,1H3/t7-,8+,9?,10+,11-,13+/m0/s1
InChIKey HGHVTHGSLVWRRB-WNELBYKUSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gX1wwm3tQ4
Name (+/-)-(1S*,3R*,5R*,7S*,8S*,9R*)-3-ETHOXY-2-OXA-TETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-6-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-15-13-6-8-7-4-3-5-9(16-13)10(7)11(13)12(8)14/h7-11H,2-6H2,1H3/t7-,8+,9?,10+,11-,13+/m0/s1
InChIKey HGHVTHGSLVWRRB-WNELBYKUSA-N
Literature Reference Author K.BOEHM,E.GOESSINGER,R.MUELLER
Literature Reference Citation TETRAHEDRON,45,1391(1989)
Literature Reference DOI 10.1016/0040-4020(89)80137-1
Molecular Weight 222.284 g/mol
Solvent CDCl3
Source File Reference UWCS12932