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2-Cyclohexen-1-one, 2,6-dimethyl-6-(3,4,4-trichloro-3-buten-1-ynyl)-
SpectraBase Compound ID fLyWz5XEO6
InChI InChI=1S/C12H11Cl3O/c1-8-4-3-6-12(2,10(8)16)7-5-9(13)11(14)15/h4H,3,6H2,1-2H3
InChIKey NMXPEJAPCHSYFA-UHFFFAOYSA-N
Mol Weight 277.58 g/mol
Molecular Formula C12H11Cl3O
Exact Mass 275.987548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9GRZ7dD0LQ
Name 2-Cyclohexen-1-one, 2,6-dimethyl-6-(3,4,4-trichloro-3-buten-1-ynyl)-
CAS Registry Number 77958-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl3O
InChI InChI=1S/C12H11Cl3O/c1-8-4-3-6-12(2,10(8)16)7-5-9(13)11(14)15/h4H,3,6H2,1-2H3
InChIKey NMXPEJAPCHSYFA-UHFFFAOYSA-N
Molecular Weight 277.578 g/mol
SMILES C(#CC(=C(Cl)Cl)Cl)C1(C(C(C)=CCC1)=O)C
SPLASH splash10-01ox-0090000000-5e93dc9461c275080e01
Source of Spectrum C-106-3559-0
Synonyms 2,6-Dimethyl-6-(3,4,4-trichloro-3-buten-1-ynyl)-2-cyclohexen-1-one 2,6-Dimethyl-6-(trichlorobut-3-en-1-ynyl)-2-cyclohexen-1-one
Wiley ID 1279612