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4-METHYL-2,4,5-TRICHLOROCYCLOHEXA-2,5-DIENONE
SpectraBase Compound ID 4opuNMLctqx
InChI InChI=1S/C7H5Cl3O/c1-7(10)3-4(8)5(11)2-6(7)9/h2-3H,1H3
InChIKey XYKQWXGUVJLNQL-UHFFFAOYSA-N
Mol Weight 211.47 g/mol
Molecular Formula C7H5Cl3O
Exact Mass 209.940598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IW2BhRGvGuL
Name 4-Methyl-2,4,5-trichlorocyclohexa-2,5-dien-1-one
Alternate Name(s) 2,4,5-trichloro-4-methyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5Cl3O
InChI InChI=1S/C7H5Cl3O/c1-7(10)3-4(8)5(11)2-6(7)9/h2-3H,1H3
InChIKey XYKQWXGUVJLNQL-UHFFFAOYSA-N
Molecular Weight 211.475 g/mol
SMILES C=1C(C(Cl)=CC(C1Cl)=O)(Cl)C
SPLASH splash10-03fr-0920000000-bb27a45b7089b14dd1bd
Source of Spectrum AC-1994-287-5
Wiley ID 811705