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L-Phenylalanine, N-pentafluoropropionyl-, heptyl ester
SpectraBase Compound ID EYwBEV8VXxu
InChI InChI=1S/C19H24F5NO3/c1-2-3-4-5-9-12-28-16(26)15(13-14-10-7-6-8-11-14)25-17(27)18(20,21)19(22,23)24/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,25,27)
InChIKey BUCMQTRROBFHOK-UHFFFAOYSA-N
Mol Weight 409.4 g/mol
Molecular Formula C19H24F5NO3
Exact Mass 409.167634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIhtjIpTqcy
Name L-Phenylalanine, N-pentafluoropropionyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.167634449 u
Formula C19H24F5NO3
InChI InChI=1S/C19H24F5NO3/c1-2-3-4-5-9-12-28-16(26)15(13-14-10-7-6-8-11-14)25-17(27)18(20,21)19(22,23)24/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,25,27)
InChIKey BUCMQTRROBFHOK-UHFFFAOYSA-N
Molecular Weight 409.397 g/mol
SMILES C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCC)=O