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

View entire compound with spectra: 8 NMR, and 1 MS (GC)

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 FveWJC0r2Go
Name 4-Methyl-4-trichlormethyl-2,5-cyclohexadien-1-on
CAS Registry Number 3274-12-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference W. Gramlich, Liebigs Ann. Chem. 121 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3