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(3S,5S)/(3R,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-[(VINYLOXY)-CARBONYLOXY]-1-CYCLOHEXENE
SpectraBase Compound ID IUO8AWqhYLU
InChI InChI=1S/C12H14O4/c1-4-9-6-10(7-11(13)8(9)3)16-12(14)15-5-2/h1,5,10-11,13H,2,6-7H2,3H3
InChIKey LTFUMIMQLZYRTB-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EB8KKpTfCXh
Name (3S,5S)/(3R,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-[(VINYLOXY)-CARBONYLOXY]-1-CYCLOHEXENE
Compound Number 7/10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-4-9-6-10(7-11(13)8(9)3)16-12(14)15-5-2/h1,5,10-11,13H,2,6-7H2,3H3
InChIKey LTFUMIMQLZYRTB-UHFFFAOYSA-N
Literature Reference Author V.GOTOR-FERNANDEZ,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,64,7504(1999)
Literature Reference DOI 10.1021/jo990813+
Molecular Weight 222.241 g/mol
Sample ID 59468
Solvent CDCl3