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Hexafluorovaline
SpectraBase Compound ID BsWo9Fwzsnm
InChI InChI=1S/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)/t1-/m1/s1
InChIKey KRNSHCKTGFAMPQ-PVQJCKRUSA-N
Mol Weight 225.09 g/mol
Molecular Formula C5H5F6NO2
Exact Mass 225.022447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHlwX7UKxkQ
Name Hexafluorovaline
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Formula C5H5F6NO2
InChI InChI=1S/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)/t1-/m1/s1
InChIKey KRNSHCKTGFAMPQ-PVQJCKRUSA-N
Molecular Weight 225.090 g/mol
SMILES [NH3+][C@](C(C(F)(F)F)C(F)(F)F)(C([O-])=O)[H]
SPLASH splash10-03di-3900000000-fac7c262a5bc6b661a77
Source of Spectrum SO-0-696-5
Synonyms (2R)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid (2R)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid (2R)-2-ammonio-4,4,4-trifluoro-3-(trifluoromethyl)butanoate (2R)-2-ammonio-4,4,4-trifluoro-3-(trifluoromethyl)butyrate (2R)-2-azaniumyl-4,4,4-trifluoro-3-(trifluoromethyl)butanoate (2R)-2-azaniumyl-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)butanoate (2R)-2-azanyl-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)butanoic acid
Wiley ID 873623