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Phenylalanine, dl, .alpha.-methyl-N-pentafluoropropionyl-

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Phenylalanine, dl, .alpha.-methyl-N-pentafluoropropionyl-
SpectraBase Compound ID CK6xSOBCApu
InChI InChI=1S/C13H12F5NO3/c1-11(10(21)22,7-8-5-3-2-4-6-8)19-9(20)12(14,15)13(16,17)18/h2-6H,7H2,1H3,(H,19,20)(H,21,22)
InChIKey QAXZNQQMJLMMPV-UHFFFAOYSA-N
Mol Weight 325.24 g/mol
Molecular Formula C13H12F5NO3
Exact Mass 325.073734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCfIYtwWiyF
Name Phenylalanine, dl, .alpha.-methyl-N-pentafluoropropionyl-
Comments Computed using HOSE algorithm
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Exact Mass 325.073734062 u
Formula C13H12F5NO3
InChI InChI=1S/C13H12F5NO3/c1-11(10(21)22,7-8-5-3-2-4-6-8)19-9(20)12(14,15)13(16,17)18/h2-6H,7H2,1H3,(H,19,20)(H,21,22)
InChIKey QAXZNQQMJLMMPV-UHFFFAOYSA-N
Molecular Weight 325.235 g/mol
SMILES C1(=CC=CC=C1)CC(C)(NC(C(C(F)(F)F)(F)F)=O)C(=O)O