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4-Methyl-1-hexen-3-one
SpectraBase Compound ID 9fSIckYaTIs
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3
InChIKey PVBVVELBGISLBX-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 8Ictwm6DX3N
Name 4-METHYL-1-HEXEN-3-ONE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3
InChIKey PVBVVELBGISLBX-UHFFFAOYSA-N
Literature Reference Author F.C.WOUTERS,D.F.O.ROCHA,C.C.S.GONCALVES,G.MACHADO,A.J.MARSAI OLI
Literature Reference Citation J.NAT.PROD.,76,1559(2013)
Literature Reference DOI 10.1021/np4001569
Molecular Weight 112.172 g/mol
Source File Reference UWMZ43099