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(1R,5S)/(1S,5R)-METHYL-5-HYDROXY-2-METHYL-4-OXOCYCLOHEX-2-ENECARBOXYLATE
SpectraBase Compound ID 3C4f7mNZzCf
InChI InChI=1S/C9H12O4/c1-5-3-7(10)8(11)4-6(5)9(12)13-2/h3,6,8,11H,4H2,1-2H3
InChIKey YWUSWSDGAXKXTI-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ek2Nvm7DaR5
Name (1R,5S)/(1S,5R)-METHYL-5-HYDROXY-2-METHYL-4-OXOCYCLOHEX-2-ENECARBOXYLATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-5-3-7(10)8(11)4-6(5)9(12)13-2/h3,6,8,11H,4H2,1-2H3
InChIKey YWUSWSDGAXKXTI-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 184.192 g/mol
Sample ID 37697
Solvent CDCl3