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3-Methyl-N-(trifluoroacetyl)phenylalanin-methylester
SpectraBase Compound ID KJMlmioSBCE
InChI InChI=1S/C13H14F3NO3/c1-8-4-3-5-9(6-8)7-10(11(18)20-2)17-12(19)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKey PZKYADZTWSDSMR-JTQLQIEISA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE1hKArBmlU
Name 3-Methyl-N-(trifluoroacetyl)phenylalanin-methylester
Alternate Name(s) Methyl (2S)-3-(3-methylphenyl)-2-[(trifluoroacetyl)amino]propanoate
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Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-8-4-3-5-9(6-8)7-10(11(18)20-2)17-12(19)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKey PZKYADZTWSDSMR-JTQLQIEISA-N
Molecular Weight 289.254 g/mol
SMILES N(C(C(F)(F)F)=O)[C@](C(=O)OC)(Cc1cc(C)ccc1)[H]
SPLASH splash10-0a4i-0900000000-5d30240dbf8193e5c982
Source of Spectrum H-72-436-0
Wiley ID 1292469