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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8vg3pFIdtYF
Name 4-Methyl-4-trichloromethyl-2,5-cyclohexadien-1-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 304441
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 225.502 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013673