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6-BROMO-4-TERT.-BUTYL-2-TRIFLUOROACETYL-CYCLOHEXANONE
SpectraBase Compound ID ANayR3qTZ5h
InChI InChI=1S/C12H16BrF3O2/c1-11(2,3)6-4-7(9(17)8(13)5-6)10(18)12(14,15)16/h6,8,17H,4-5H2,1-3H3
InChIKey UCVJBTPOZCHUHG-UHFFFAOYSA-N
Mol Weight 329.16 g/mol
Molecular Formula C12H16BrF3O2
Exact Mass 328.028577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dtbAVYcDbD
Name 1-(Trifluoroacetyl)-2-hydroxy-3-bromo-5-(t-butyl)-cyclohex-1-ene
Alternate Name(s) 1-(3-bromo-5-tert-butyl-2-hydroxy-1-cyclohexen-1-yl)-2,2,2-trifluoroethanone
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Formula C12H16BrF3O2
InChI InChI=1S/C12H16BrF3O2/c1-11(2,3)6-4-7(9(17)8(13)5-6)10(18)12(14,15)16/h6,8,17H,4-5H2,1-3H3
InChIKey UCVJBTPOZCHUHG-UHFFFAOYSA-N
Molecular Weight 329.157 g/mol
SMILES OC1=C(CC(CC1Br)C(C)(C)C)C(=O)C(F)(F)F
SPLASH splash10-0a4i-9453000000-0e098d15298c1988106e
Source of Spectrum OL-17-81-3
Wiley ID 1612018