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(1-S,6-R,2-S)-2-(2-HYDROXY-2,6-DIMETHYL-6-VINYLCYCLOHEXANYL)-ACETIC_ACID
SpectraBase Compound ID I41RMes4rjX
InChI InChI=1S/C12H20O3/c1-4-11(2)6-5-7-12(3,15)9(11)8-10(13)14/h4,9,15H,1,5-8H2,2-3H3,(H,13,14)/t9-,11+,12-/m0/s1
InChIKey MKKFTMMPINDCQH-WCQGTBRESA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5iR4XRbxHc
Name (1-S,6-R,2-S)-2-(2-HYDROXY-2,6-DIMETHYL-6-VINYLCYCLOHEXANYL)-ACETIC_ACID
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-4-11(2)6-5-7-12(3,15)9(11)8-10(13)14/h4,9,15H,1,5-8H2,2-3H3,(H,13,14)/t9-,11+,12-/m0/s1
InChIKey MKKFTMMPINDCQH-WCQGTBRESA-N
Literature Reference Author S.S.WALSE,F.LU,P.E.A.TEAL
Literature Reference Citation J.NAT.PROD.,71,1726(2008)
Literature Reference DOI 10.1021/np800096k
Molecular Weight 212.289 g/mol
Sample ID 29160
Solvent CD3OD