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

*Links on SpectraBase are not permalinks.

L-Leucine, N-(2-trifluoromethylbenzoyl)-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-trifluoromethylbenzoyl)-, octadecyl ester
SpectraBase Compound ID CRn8dXJdf1X
InChI InChI=1S/C32H52F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-39-31(38)29(25-26(2)3)36-30(37)27-22-19-20-23-28(27)32(33,34)35/h19-20,22-23,26,29H,4-18,21,24-25H2,1-3H3,(H,36,37)
InChIKey IQMJJLQKAPQOPT-UHFFFAOYSA-N
Mol Weight 555.8 g/mol
Molecular Formula C32H52F3NO3
Exact Mass 555.389929 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 8LcNMkAL22c
Name L-Leucine, N-(2-trifluoromethylbenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.389929024 u
Formula C32H52F3NO3
InChI InChI=1S/C32H52F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-39-31(38)29(25-26(2)3)36-30(37)27-22-19-20-23-28(27)32(33,34)35/h19-20,22-23,26,29H,4-18,21,24-25H2,1-3H3,(H,36,37)
InChIKey IQMJJLQKAPQOPT-UHFFFAOYSA-N
Molecular Weight 555.767 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)C(F)(F)F