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

View entire compound with spectra: 1 NMR

Phenylalanine, dl, .alpha.-methyl-N-heptafluorobutyryl-
SpectraBase Compound ID 43GvY8bJz1j
InChI InChI=1S/C14H12F7NO3/c1-11(10(24)25,7-8-5-3-2-4-6-8)22-9(23)12(15,16)13(17,18)14(19,20)21/h2-6H,7H2,1H3,(H,22,23)(H,24,25)
InChIKey IWVNQZWQTMWGNB-UHFFFAOYSA-N
Mol Weight 375.24 g/mol
Molecular Formula C14H12F7NO3
Exact Mass 375.07054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lWLKI1wVWC
Name Phenylalanine, dl, .alpha.-methyl-N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 375.070540388 u
Formula C14H12F7NO3
InChI InChI=1S/C14H12F7NO3/c1-11(10(24)25,7-8-5-3-2-4-6-8)22-9(23)12(15,16)13(17,18)14(19,20)21/h2-6H,7H2,1H3,(H,22,23)(H,24,25)
InChIKey IWVNQZWQTMWGNB-UHFFFAOYSA-N
Molecular Weight 375.243 g/mol
SMILES C1(=CC=CC=C1)CC(C)(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)O