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(1R,5S)/(1S,5R)-METHYL-5-ACETOXY-2-METHYL-4-OXOCYCLOHEX-2-ENECARBOXYLATE
SpectraBase Compound ID 36BGMHBZxTl
InChI InChI=1S/C11H14O5/c1-6-4-9(13)10(16-7(2)12)5-8(6)11(14)15-3/h4,8,10H,5H2,1-3H3
InChIKey MTQZLBVAESVFMZ-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Lc9vW7SRI0
Name (1R,5S)/(1S,5R)-METHYL-5-ACETOXY-2-METHYL-4-OXOCYCLOHEX-2-ENECARBOXYLATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-6-4-9(13)10(16-7(2)12)5-8(6)11(14)15-3/h4,8,10H,5H2,1-3H3
InChIKey MTQZLBVAESVFMZ-UHFFFAOYSA-N
Literature Reference Author A.R.LINGHAM,H.M.HUEGEL,T.J.ROOK
Literature Reference Citation AUSTR.J.CHEM.,59,340(2006)
Literature Reference DOI 10.1071/CH05338
Molecular Weight 226.229 g/mol
Sample ID 37698
Solvent CDCl3