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

*Links on SpectraBase are not permalinks.

L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID JCeCFX1WuQr
InChI InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-13-17-32-24(31)22(19(2)3)29-23(30)20-15-14-16-21(18-20)25(26,27)28/h14-16,18-19,22H,4-13,17H2,1-3H3,(H,29,30)
InChIKey HUCPSDBHQQOXQQ-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 8XjWFkdLYdD
Name L-Valine, N-(3-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/c1-4-5-6-7-8-9-10-11-12-13-17-32-24(31)22(19(2)3)29-23(30)20-15-14-16-21(18-20)25(26,27)28/h14-16,18-19,22H,4-13,17H2,1-3H3,(H,29,30)
InChIKey HUCPSDBHQQOXQQ-UHFFFAOYSA-N
Molecular Weight 457.578 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCC)=O)(F)(F)F