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3-Methyl-N-(trifluoroacetyl)phenylalanin-methylester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6n3R5AoCHRb
Name 3-Methyl-N-(trifluoroacetyl)phenylalanin-methylester
Comments Computed using HOSE algorithm
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Exact Mass 289.092577801 u
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 C(C(N[C@](C(=O)OC)(CC=1C=C(C)C=CC1)[H])=O)(F)(F)F