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isoleucine, N-[4-(trifluoromethyl)benzoyl]-
SpectraBase Compound ID DlaivIx60KC
InChI InChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-4-6-10(7-5-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKey QDEBMUJFOODXQL-UHFFFAOYSA-N
Mol Weight 303.28 g/mol
Molecular Formula C14H16F3NO3
Exact Mass 303.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAYZcebTftw
Name 3-Methyl-2-(4-trifluoromethyl-benzoylamino)-pentanoic acid
Alternate Name(s) 3-Methyl-2-[[4-(trifluoromethyl)benzoyl]amino]valeric acid 3-Methyl-2-[[4-(trifluoromethyl)phenyl]carbonylamino]pentanoic acid 3-Methyl-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
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Formula C14H16F3NO3
InChI InChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-4-6-10(7-5-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKey QDEBMUJFOODXQL-UHFFFAOYSA-N
Molecular Weight 303.281 g/mol
SMILES N(C(c1ccc(C(F)(F)F)cc1)=O)C(C(=O)O)C(CC)C
SPLASH splash10-00dj-3930000000-a592f9102f889288f418
Wiley ID 1465430