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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 8SYiCn42nDU
Name Cyclohexane-1,4-dione
CAS Registry Number 637-88-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey DCZFGQYXRKMVFG-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.A. Olah, J.L. Grant, P.W. Westerman, J. Org. Chem. 40, 2102 (1975).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent SO2 liquid