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L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpropyl ester
SpectraBase Compound ID JgtIxfsaanI
InChI InChI=1S/C15H18F3NO3/c1-3-10(2)22-13(20)12(19-14(21)15(16,17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,19,21)
InChIKey LCRANUUOTCSXEG-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnoXNZiINca
Name L-Phenylalanine, N-(trifluoroacetyl)-, 1-methylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 317.123877930 u
Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-3-10(2)22-13(20)12(19-14(21)15(16,17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,19,21)
InChIKey LCRANUUOTCSXEG-UHFFFAOYSA-N
Molecular Weight 317.308 g/mol
SMILES C([C@@](NC(C(F)(F)F)=O)(CC1=CC=CC=C1)[H])(OC(CC)C)=O