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

*Links on SpectraBase are not permalinks.

L-Isoleucine, N-heptafluorobutyryl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-heptafluorobutyryl-, tetradecyl ester
SpectraBase Compound ID 5WXGefQVTTg
InChI InChI=1S/C24H40F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-35-20(33)19(18(3)5-2)32-21(34)22(25,26)23(27,28)24(29,30)31/h18-19H,4-17H2,1-3H3,(H,32,34)
InChIKey HPFBDSQMGMVUDO-UHFFFAOYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C24H40F7NO3
Exact Mass 523.289641 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 8Uqg8mLvZMz
Name L-Isoleucine, N-heptafluorobutyryl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.289641290 u
Formula C24H40F7NO3
InChI InChI=1S/C24H40F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-35-20(33)19(18(3)5-2)32-21(34)22(25,26)23(27,28)24(29,30)31/h18-19H,4-17H2,1-3H3,(H,32,34)
InChIKey HPFBDSQMGMVUDO-UHFFFAOYSA-N
Molecular Weight 523.577 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(CC)C)=O