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4-Hydroxy-3-methyl-2-butanone 2R,3R-butanediol acetal isomer 1
SpectraBase Compound ID HFFkEUDOjjt
InChI InChI=1S/C9H18O3/c1-6(5-10)9(4)11-7(2)8(3)12-9/h6-8,10H,5H2,1-4H3
InChIKey HPZWHZMBWPFSSQ-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTOaYB3kyK6
Name 4-Hydroxy-3-methyl-2-butanone 2R,3R-butanediol acetal isomer 1
Comments FROM H.HIEMSTRA, PH.D.THESIS,GRONINGEN(1980) DIOXOLANE ASSIGNMENTS INTERCHANGEABLE BETWEEN BOTH ISOMERS
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Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-6(5-10)9(4)11-7(2)8(3)12-9/h6-8,10H,5H2,1-4H3
InChIKey HPZWHZMBWPFSSQ-UHFFFAOYSA-N
Literature Reference J.J. Lemiere, R.A. Domisse, J.A. Lepoivre, J. Am. Chem. Soc. 109, 1363 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported