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1,4-Cyclohexanedione

View entire compound with spectra: 23 NMR, 6 FTIR, 1 Raman, and 10 MS (GC)

1,4-Cyclohexanedione
SpectraBase Compound ID 8FvzW9jw18P
InChI InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey DCZFGQYXRKMVFG-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuBpjxkdzAP
Name 1,4-CYCLOHEXANDION
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey DCZFGQYXRKMVFG-UHFFFAOYSA-N
Literature Reference Author M.J.LOOTS,L.R.WEINGARTEN,R.H.LEVIN
Literature Reference Citation J.AM.CHEM.SOC.,98,4571(1976)
Literature Reference DOI 10.1021/ja00431a040
Molecular Weight 112.128 g/mol
Solvent Unknown
Source File Reference UNIW8736