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

*Links on SpectraBase are not permalinks.

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester
SpectraBase Compound ID Gu9FgLxqEL7
InChI InChI=1S/C31H47F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-39-30(38)28-19-18-22-36(28)29(37)26-24-25(31(33,34)35)20-21-27(26)32/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey BXRSUVRUYLILLY-UHFFFAOYSA-N
Mol Weight 557.7 g/mol
Molecular Formula C31H47F4NO3
Exact Mass 557.349207 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 1X5hBuhG3vo
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.349207026 u
Formula C31H47F4NO3
InChI InChI=1S/C31H47F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-39-30(38)28-19-18-22-36(28)29(37)26-24-25(31(33,34)35)20-21-27(26)32/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey BXRSUVRUYLILLY-UHFFFAOYSA-N
Molecular Weight 557.715 g/mol
SMILES C1(=C(C=CC(=C1)C(F)(F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O