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trans-1-Benzyl-3-fluoro-3-methyl-4-(trifluoromethyl)-2-azetinone
SpectraBase Compound ID 1eRVz3Hiz6r
InChI InChI=1S/C12H11F4NO/c1-11(13)9(12(14,15)16)17(10(11)18)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11-/m1/s1
InChIKey INTZYZKWWYGBNM-MWLCHTKSSA-N
Mol Weight 261.22 g/mol
Molecular Formula C12H11F4NO
Exact Mass 261.077677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8N2afAZK3I
Name trans-1-Benzyl-3-fluoro-3-methyl-4-(trifluoromethyl)-2-azetinone
Alternate Name(s) (3S,4S)-1-benzyl-3-fluoro-3-methyl-4-(trifluoromethyl)-2-azetidinone (R)-1-Benzyl-3-fluoro-3-methyl-4-((R)-trifluoro-methyl)-azetidin-2-one (3R,4R)-3-fluoro-3-methyl-1-(phenylmethyl)-4-(trifluoromethyl)-2-azetidinone (3R,4R)-3-fluoranyl-3-methyl-1-(phenylmethyl)-4-(trifluoromethyl)azetidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H11F4NO
InChI InChI=1S/C12H11F4NO/c1-11(13)9(12(14,15)16)17(10(11)18)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-,11-/m1/s1
InChIKey INTZYZKWWYGBNM-MWLCHTKSSA-N
Molecular Weight 261.220 g/mol
SMILES [C@@]1([C@@](C(F)(F)F)([H])N(C1=O)Cc1ccccc1)(F)C
SPLASH splash10-0006-9000000000-1bc909468c7197f9d79d
Source of Spectrum F-52-260-3
Wiley ID 794602