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m-Fluoro-dl-phenylalanine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

m-Fluoro-dl-phenylalanine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID KvKND0BoRWu
InChI InChI=1S/C14H11F8NO3/c15-8-3-1-2-7(4-8)5-9(23-12(25)14(20,21)22)10(24)26-6-13(18,19)11(16)17/h1-4,9,11H,5-6H2,(H,23,25)
InChIKey UADVGFNQOSUMFI-UHFFFAOYSA-N
Mol Weight 393.23 g/mol
Molecular Formula C14H11F8NO3
Exact Mass 393.061119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnUPWVbFeB1
Name m-Fluoro-dl-phenylalanine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.061118519 u
Formula C14H11F8NO3
InChI InChI=1S/C14H11F8NO3/c15-8-3-1-2-7(4-8)5-9(23-12(25)14(20,21)22)10(24)26-6-13(18,19)11(16)17/h1-4,9,11H,5-6H2,(H,23,25)
InChIKey UADVGFNQOSUMFI-UHFFFAOYSA-N
Molecular Weight 393.233 g/mol
SMILES C(C(CC1=CC(F)=CC=C1)NC(C(F)(F)F)=O)(=O)OCC(C(F)F)(F)F