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4,4-Dimethyl-2-pentanone

View entire compound with spectra: 10 NMR, 5 FTIR, 1 Raman, and 6 MS (GC)

4,4-Dimethyl-2-pentanone
SpectraBase Compound ID JqciRhCpcxi
InChI InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ON4bKOsKCV
Name 4,4-DIMETHYL-2-PENTANONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
Literature Reference Author G.E.HAWKES,K.HERWIG,J.D.ROBERTS
Literature Reference Citation J.ORG.CHEM.,39,1017(1974)
Literature Reference DOI 10.1021/jo00922a001
Molecular Weight 114.188 g/mol
Solvent CDCl3
Source File Reference UNIW11170