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2-(ACETYLOXY)-2,4-DIMETHYL-3-PENTANONE

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2-(ACETYLOXY)-2,4-DIMETHYL-3-PENTANONE
SpectraBase Compound ID 3OlS2pl9CtP
InChI InChI=1S/C9H16O3/c1-6(2)8(11)9(4,5)12-7(3)10/h6H,1-5H3
InChIKey LQSQPIQAOXPSJD-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jOqnP9DqTC
Name 2-(ACETYLOXY)-2,4-DIMETHYL-3-PENTANONE
CAS Registry Number 21980-75-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)8(11)9(4,5)12-7(3)10/h6H,1-5H3
InChIKey LQSQPIQAOXPSJD-UHFFFAOYSA-N
Literature Reference Author M.SINGH,R.W.MURRAY
Literature Reference Citation J.ORG.CHEM.,57,4263(1992)
Literature Reference DOI 10.1021/jo00041a036
Molecular Weight 172.224 g/mol
Solvent CDCl3
Source File Reference UWCS1074