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

*Links on SpectraBase are not permalinks.

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID CFIhD67h2DQ
InChI InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-35-26(34)24-15-14-16-32(24)25(33)21-18-22(27(29,30)31)20-23(28)19-21/h18-20,24H,2-17H2,1H3
InChIKey ITSZFDDMOHDCOC-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C27H39F4NO3
Exact Mass 501.286607 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 IWEB4utIyRJ
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.286606769 u
Formula C27H39F4NO3
InChI InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-35-26(34)24-15-14-16-32(24)25(33)21-18-22(27(29,30)31)20-23(28)19-21/h18-20,24H,2-17H2,1H3
InChIKey ITSZFDDMOHDCOC-UHFFFAOYSA-N
Molecular Weight 501.607 g/mol
SMILES C1(=CC(=CC(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O)F