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3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID HX2rfcnfGS3
InChI InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKey PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Mol Weight 158.63 g/mol
Molecular Formula C8H11ClO
Exact Mass 158.049843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mCrNJadELN
Name BETA-CHLORO-5,5-DIMETHYL-CYCLOHEX-2-ENONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11ClO
InChI InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKey PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Literature Reference Author M.G.CONSTANTINO,V.L.JUNIOR,G.V.J.D.SILVA
Literature Reference Citation MAGN.RES.CHEM.,43,346(2005)
Literature Reference DOI 10.1002/mrc.1547
Molecular Weight 158.628 g/mol
Solvent CDCl3
Source File Reference UWSI26065