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4,4-Dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID LJzwAkzj18d
InChI InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
InChIKey PLGPBTCNKJQJHQ-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfmcDRrmTP6
Name 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1981)
CAS Registry Number 562-46-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
InChIKey PLGPBTCNKJQJHQ-UHFFFAOYSA-N
Molecular Weight 140.18
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms 1,3-CYCLOHEXANEDIONE, 4,4-DIMETHYL-,