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

*Links on SpectraBase are not permalinks.

L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 2TsAeCv1XSs
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-15-18-32-24(31)22(19(2)3)29-23(30)20-16-13-14-17-21(20)25(26,27)28/h13-14,16-17,19,22H,4-12,15,18H2,1-3H3,(H,29,30)
InChIKey JTIJEKZCKRZUSM-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C25H38F3NO3
Exact Mass 457.280379 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 4W8ShtgGUQM
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.280378574 u
Formula C25H38F3NO3
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-15-18-32-24(31)22(19(2)3)29-23(30)20-16-13-14-17-21(20)25(26,27)28/h13-14,16-17,19,22H,4-12,15,18H2,1-3H3,(H,29,30)
InChIKey JTIJEKZCKRZUSM-UHFFFAOYSA-N
Molecular Weight 457.578 g/mol
SMILES C1=CC=CC(=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCC)=O