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3-FLUORO-2-METHOXY-3-(TRIFLUOROMETHYL)-NONAN-4-ONE
SpectraBase Compound ID JAkorca6EUc
InChI InChI=1S/C11H18F4O2/c1-4-5-6-7-9(16)10(12,8(2)17-3)11(13,14)15/h8H,4-7H2,1-3H3
InChIKey VXWVCJAJNUWIQS-UHFFFAOYSA-N
Mol Weight 258.26 g/mol
Molecular Formula C11H18F4O2
Exact Mass 258.124292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzyAZZyc5DS
Name 3-fluoranyl-2-methoxy-3-(trifluoromethyl)nonan-4-one
Alternate Name(s) 3-fluoro-2-methoxy-3-(trifluoromethyl)-4-nonanone 3-fluoro-2-methoxy-3-(trifluoromethyl)nonan-4-one
Comments Removed - expert review: contamination (acetone))
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Formula C11H18F4O2
InChI InChI=1S/C11H18F4O2/c1-4-5-6-7-9(16)10(12,8(2)17-3)11(13,14)15/h8H,4-7H2,1-3H3
InChIKey VXWVCJAJNUWIQS-UHFFFAOYSA-N
Molecular Weight 258.257 g/mol
SMILES C(C(F)(F)F)(C(=O)CCCCC)(C(OC)C)F
SPLASH splash10-0a4i-9000000000-636ac113fc57bed04fb8
Source of Spectrum J-58-6679-7
Wiley ID 1261319