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L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester
SpectraBase Compound ID 1c3Pv8IXyH7
InChI InChI=1S/C21H28F5NO3/c1-2-3-4-5-6-7-11-14-30-18(28)17(15-16-12-9-8-10-13-16)27-19(29)20(22,23)21(24,25)26/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,27,29)
InChIKey SJYNVAKMXGSJME-UHFFFAOYSA-N
Mol Weight 437.45 g/mol
Molecular Formula C21H28F5NO3
Exact Mass 437.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID X60mSYJtPb
Name L-Phenylalanine, N-pentafluoropropionyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.198934578 u
Formula C21H28F5NO3
InChI InChI=1S/C21H28F5NO3/c1-2-3-4-5-6-7-11-14-30-18(28)17(15-16-12-9-8-10-13-16)27-19(29)20(22,23)21(24,25)26/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,27,29)
InChIKey SJYNVAKMXGSJME-UHFFFAOYSA-N
Molecular Weight 437.451 g/mol
SMILES C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCC)=O