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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 BLUA1sQ66Nw
Name 4-METHYL-1-HEXEN-3-ONE
CAS Registry Number 21509-95-5
Copyright Copyright © 2016-2024 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 H.NAKAHIRA,I.RYU,M.IKEBE,Y.OKU,A.OGAWA,N.KAMBE,N.SONODA,S.MU RAI
Literature Reference Citation J.ORG.CHEM.,57,17(1992)
Literature Reference DOI 10.1021/jo00027a008
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UWCS2673