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

*Links on SpectraBase are not permalinks.

L-Alanine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester
SpectraBase Compound ID am1v3m9Xym
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-31-23(30)19(2)28-22(29)20-15-14-16-21(18-20)24(25,26)27/h14-16,18-19H,3-13,17H2,1-2H3,(H,28,29)
InChIKey QJCLTQZKRYRSGP-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C24H36F3NO3
Exact Mass 443.264729 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 D4mkTbKlk5k
Name L-Alanine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.264728509 u
Formula C24H36F3NO3
InChI InChI=1S/C24H36F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-31-23(30)19(2)28-22(29)20-15-14-16-21(18-20)24(25,26)27/h14-16,18-19H,3-13,17H2,1-2H3,(H,28,29)
InChIKey QJCLTQZKRYRSGP-UHFFFAOYSA-N
Molecular Weight 443.551 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCCCCC)=O)C)=O)C(F)(F)F