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4,4-Dimethyl-1-penten-3-one

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4,4-Dimethyl-1-penten-3-one
SpectraBase Compound ID 5OjjSeBoSip
InChI InChI=1S/C7H12O/c1-5-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey MUOKXXOKLLKNIE-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOcYtwis8nJ
Name 4,4-DIMETHYL-1-PENTEN-3-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-5-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey MUOKXXOKLLKNIE-UHFFFAOYSA-N
Literature Reference Author R.W.MURRAY,M.SINGH
Literature Reference Citation J.ORG.CHEM.,58,5076(1993)
Literature Reference DOI 10.1021/jo00071a016
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWGE2204