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

*Links on SpectraBase are not permalinks.

L-Isoleucine, N-pentafluoropropionyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-pentafluoropropionyl-, octyl ester
SpectraBase Compound ID BpkGgpq0Wsh
InChI InChI=1S/C17H28F5NO3/c1-4-6-7-8-9-10-11-26-14(24)13(12(3)5-2)23-15(25)16(18,19)17(20,21)22/h12-13H,4-11H2,1-3H3,(H,23,25)
InChIKey BEJLBMIUOWYOGI-UHFFFAOYSA-N
Mol Weight 389.41 g/mol
Molecular Formula C17H28F5NO3
Exact Mass 389.198935 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 984pL5AckcT
Name L-Isoleucine, N-pentafluoropropionyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.198934578 u
Formula C17H28F5NO3
InChI InChI=1S/C17H28F5NO3/c1-4-6-7-8-9-10-11-26-14(24)13(12(3)5-2)23-15(25)16(18,19)17(20,21)22/h12-13H,4-11H2,1-3H3,(H,23,25)
InChIKey BEJLBMIUOWYOGI-UHFFFAOYSA-N
Molecular Weight 389.407 g/mol
SMILES CCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(CC)C)=O