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5-Hydroxy-6-methoxy-2,2-dimethyl-heptan-3-one diastereomer 1
SpectraBase Compound ID APoO3JhtHaF
InChI InChI=1S/C10H20O3/c1-7(13-5)8(11)6-9(12)10(2,3)4/h7-8,11H,6H2,1-5H3
InChIKey QSANOOICYYVISE-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C10H20O3
Exact Mass 188.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LXEvvGg52D
Name 5-Hydroxy-6-methoxy-2,2-dimethyl-heptan-3-one diastereomer 2
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Formula C10H20O3
InChI InChI=1S/C10H20O3/c1-7(13-5)8(11)6-9(12)10(2,3)4/h7-8,11H,6H2,1-5H3
InChIKey QSANOOICYYVISE-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