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1-(ACETYLOXY)-3,3-DIMETHYL-2-BUTANONE
SpectraBase Compound ID JpYNgzVwin8
InChI InChI=1S/C8H14O3/c1-6(9)11-5-7(10)8(2,3)4/h5H2,1-4H3
InChIKey WRHRPYRPXMFKJG-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN9ote0kySp
Name 1-(ACETYLOXY)-3,3-DIMETHYL-2-BUTANONE
CAS Registry Number 38559-25-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(9)11-5-7(10)8(2,3)4/h5H2,1-4H3
InChIKey WRHRPYRPXMFKJG-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 158.197 g/mol
Solvent CDCl3
Source File Reference UWCS1075