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1,3 Cyclohexanedione

View entire compound with spectra: 26 NMR, and 1 MS (GC)

1,3 Cyclohexanedione
SpectraBase Compound ID 42UO8rwJjh7
InChI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3H2
InChIKey FXYSLMWUJOJBBA-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 9ZU3oWEHSZT
Name 3-Hydroxy-cyclohex-2-en-1-one
CAS Registry Number 30182-67-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3H2
InChIKey FXYSLMWUJOJBBA-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference F. Imashiro, S. Maeda, K. Takegoshi, J. Am. Chem. Soc. 109, 5213 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6