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

*Links on SpectraBase are not permalinks.

L-Isoleucine, N-pentafluoropropionyl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-pentafluoropropionyl-, undecyl ester
SpectraBase Compound ID GYQ6f3iXoTd
InChI InChI=1S/C20H34F5NO3/c1-4-6-7-8-9-10-11-12-13-14-29-17(27)16(15(3)5-2)26-18(28)19(21,22)20(23,24)25/h15-16H,4-14H2,1-3H3,(H,26,28)
InChIKey MPCDQFFPLRSOQX-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C20H34F5NO3
Exact Mass 431.245885 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 F4cxdLrLa0s
Name L-Isoleucine, N-pentafluoropropionyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.245884771 u
Formula C20H34F5NO3
InChI InChI=1S/C20H34F5NO3/c1-4-6-7-8-9-10-11-12-13-14-29-17(27)16(15(3)5-2)26-18(28)19(21,22)20(23,24)25/h15-16H,4-14H2,1-3H3,(H,26,28)
InChIKey MPCDQFFPLRSOQX-UHFFFAOYSA-N
Molecular Weight 431.488 g/mol
SMILES CCC(C)C(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCCCCCC)=O