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L-Phenylalanine, N-pentafluoropropionyl-, hexadecyl ester

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L-Phenylalanine, N-pentafluoropropionyl-, hexadecyl ester
SpectraBase Compound ID OGKFK1d5gi
InChI InChI=1S/C28H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-37-25(35)24(22-23-19-16-15-17-20-23)34-26(36)27(29,30)28(31,32)33/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,34,36)
InChIKey GHALAEIBDPQHRB-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C28H42F5NO3
Exact Mass 535.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb37W4PVAPb
Name L-Phenylalanine, N-pentafluoropropionyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.308485028 u
Formula C28H42F5NO3
InChI InChI=1S/C28H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-37-25(35)24(22-23-19-16-15-17-20-23)34-26(36)27(29,30)28(31,32)33/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,34,36)
InChIKey GHALAEIBDPQHRB-UHFFFAOYSA-N
Molecular Weight 535.640 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O