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2-ISOBUTYRYL-4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
SpectraBase Compound ID 8r4TUlFiwIx
InChI InChI=1S/C12H18O3/c1-7(2)11(15)10-8(13)5-12(3,4)6-9(10)14/h7,13H,5-6H2,1-4H3
InChIKey ZESFXXRVIISTBM-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TCUpA29dys
Name 2-ISOBUTYRYL-4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7(2)11(15)10-8(13)5-12(3,4)6-9(10)14/h7,13H,5-6H2,1-4H3
InChIKey ZESFXXRVIISTBM-UHFFFAOYSA-N
Literature Reference Author S.BOLVIG,F.DUUS,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,36,315(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199805)36:5<315::aid-omr251>3.0.co;2-p
Molecular Weight 210.273 g/mol
Solvent CDCl3;C=0.5M
Source File Reference UWCS25201