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4,4-Dimethyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID LcNUyVbMXct
InChI InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey YKDJBIPPVNMAGR-UHFFFAOYSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hJk5Ilm2Po
Name 4,4-DIMETHYL-2,5-CYCLOHEXADIEN-1-ONE
Source of Sample W. Gramlich Liebigs Ann. Chem. 1979, 121
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O
InChI InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey YKDJBIPPVNMAGR-UHFFFAOYSA-N
Molecular Weight 122.17
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms 2,5-CYCLOHEXADIEN-1-ONE, 4,4-DIMETHYL-,