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4-Methyl-4-trichlormethyl-2,5-cyclohexadien-1-on

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4-Methyl-4-trichlormethyl-2,5-cyclohexadien-1-on
SpectraBase Compound ID G2LLM3ME5EJ
InChI InChI=1S/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
InChIKey RCHALGLCCGJUAE-UHFFFAOYSA-N
Mol Weight 225.5 g/mol
Molecular Formula C8H7Cl3O
Exact Mass 223.956248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkJXvLiuAKu
Name 4-METHYL-4-(TRICHLOROMETHYL)-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 C8H7Cl3O
InChI InChI=1S/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
InChIKey RCHALGLCCGJUAE-UHFFFAOYSA-N
Molecular Weight 225.50
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms 2,5-CYCLOHEXADIEN-1-ONE, 4-METHYL- 4-/TRICHLOROMETHYL/-,