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5-Hydroxy-6-methoxy-2,2,7-trimethyl-octan-3-one diastereomer 1
SpectraBase Compound ID 78b8kK7iOJ6
InChI InChI=1S/C12H24O3/c1-8(2)11(15-6)9(13)7-10(14)12(3,4)5/h8-9,11,13H,7H2,1-6H3
InChIKey UVKDJAAKIJFSKP-UHFFFAOYSA-N
Mol Weight 216.32 g/mol
Molecular Formula C12H24O3
Exact Mass 216.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeS4danCwkS
Name 5-Hydroxy-6-methoxy-2,2,7-trimethyl-octan-3-one diastereomer 1
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Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-8(2)11(15-6)9(13)7-10(14)12(3,4)5/h8-9,11,13H,7H2,1-6H3
InChIKey UVKDJAAKIJFSKP-UHFFFAOYSA-N
Literature Reference E.P. Lodge, C.H. Heathcock, J. Am. Chem. Soc. 109, 3353 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3