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5,5-Dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione
SpectraBase Compound ID EXdk5i1G1jw
InChI InChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3
InChIKey YDOQORTWZHTGLJ-UHFFFAOYSA-N
Mol Weight 240.24 g/mol
Molecular Formula C9H11F3O2S
Exact Mass 240.043185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J1oxNkgPQt
Name 5,5-Dimethyl-2-[(trifluoromethyl)sulfanyl]-1,3-cyclohexanedione
CAS Registry Number 128402-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11F3O2S
InChI InChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3
InChIKey YDOQORTWZHTGLJ-UHFFFAOYSA-N
Molecular Weight 240.240 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)SC(F)(F)F
SPLASH splash10-001i-7930000000-68a05f3ae8d67aeae473
Synonyms 5,5-Dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione 5,5-Dimethyl-2-(trifluoromethylthio)cyclohexane-1,3-dione 5,5-Dimethyl-2-(trifluoromethylthio)cyclohexane-1,3-quinone
Wiley ID 1462360