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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cjlo3mnlmcH
Name 2,5-Cyclohexadien-1-one, 4-methyl-4-(trichloromethyl)-
CAS Registry Number 3274-12-2
Copyright Copyright © 2020-2024 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 225.502 g/mol
SMILES C(Cl)(Cl)(Cl)C1(C)C=CC(=O)C=C1
SPLASH splash10-0a6r-9500000000-cf66b25f42c2e23c9d07
Source of Spectrum EP-2553-0-0
Synonyms 4-Methyl-4-(trichloromethyl)-2,5-cyclohexadien-1-one 4-Methyl-4-(trichloromethyl)-1-cyclohexa-2,5-dienone 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one 4-Trichloromethyl-4-methyl-2,5-cyclohexadien-1-one 4-Trichloromethyl-4-methyl-2,5-cyclohexadienone
Wiley ID 1224438