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l-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID DDpp94Z1TSk
InChI InChI=1S/C14H16F3NO3/c1-3-7-21-13(20)9(2)18-12(19)10-5-4-6-11(8-10)14(15,16)17/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)
InChIKey JKTKSTVGSVXLEN-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 B1IqwTzQtoe
Name l-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester
Alternate Name(s) 2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid propyl ester Propyl 2-[[3-(trifluoromethyl)benzoyl]amino]propanoate Propyl 2-[[3-(trifluoromethyl)phenyl]carbonylamino]propanoate
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Formula C14H16F3NO3
InChI InChI=1S/C14H16F3NO3/c1-3-7-21-13(20)9(2)18-12(19)10-5-4-6-11(8-10)14(15,16)17/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)
InChIKey JKTKSTVGSVXLEN-UHFFFAOYSA-N
Molecular Weight 303.281 g/mol
SMILES N(C(C)C(=O)OCCC)C(c1cc(ccc1)C(F)(F)F)=O
SPLASH splash10-00xr-1940000000-78f9834e2ef04777eca7
Source of Spectrum NP-10-2576-0
Wiley ID 1108771