For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

L-Phenylalanine, N-pentafluoropropionyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-pentafluoropropionyl-, octadecyl ester
SpectraBase Compound ID 3HvsQH8Vc9e
InChI InChI=1S/C30H46F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-27(37)26(24-25-21-18-17-19-22-25)36-28(38)29(31,32)30(33,34)35/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,36,38)
InChIKey UJNQVBXSVXIMAN-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C30H46F5NO3
Exact Mass 563.339785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8ENGxEjfW7v
Name L-Phenylalanine, N-pentafluoropropionyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.339785157 u
Formula C30H46F5NO3
InChI InChI=1S/C30H46F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-27(37)26(24-25-21-18-17-19-22-25)36-28(38)29(31,32)30(33,34)35/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,36,38)
InChIKey UJNQVBXSVXIMAN-UHFFFAOYSA-N
Molecular Weight 563.694 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O