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

*Links on SpectraBase are not permalinks.

L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 2CgC6AnhwS6
InChI InChI=1S/C29H45F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-28(36)26(22(2)3)34-27(35)25-23(29(31,32)33)19-18-20-24(25)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,34,35)
InChIKey RXJBXHYUBPUVIW-UHFFFAOYSA-N
Mol Weight 531.7 g/mol
Molecular Formula C29H45F4NO3
Exact Mass 531.333557 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 v5UznnV8FU
Name L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.333556962 u
Formula C29H45F4NO3
InChI InChI=1S/C29H45F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-37-28(36)26(22(2)3)34-27(35)25-23(29(31,32)33)19-18-20-24(25)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,34,35)
InChIKey RXJBXHYUBPUVIW-UHFFFAOYSA-N
Molecular Weight 531.677 g/mol
SMILES C1=CC=C(C(=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCC)=O)F