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

*Links on SpectraBase are not permalinks.

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID 2B7k9JVtdzz
InChI InChI=1S/C22H33F2NO3/c1-3-4-5-6-7-8-9-10-11-12-15-28-22(27)17(2)25-21(26)19-16-18(23)13-14-20(19)24/h13-14,16-17H,3-12,15H2,1-2H3,(H,25,26)
InChIKey NZYFGJHGZGTYIJ-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C22H33F2NO3
Exact Mass 397.24285 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 HtISPtvgsvf
Name D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.242850250 u
Formula C22H33F2NO3
InChI InChI=1S/C22H33F2NO3/c1-3-4-5-6-7-8-9-10-11-12-15-28-22(27)17(2)25-21(26)19-16-18(23)13-14-20(19)24/h13-14,16-17H,3-12,15H2,1-2H3,(H,25,26)
InChIKey NZYFGJHGZGTYIJ-UHFFFAOYSA-N
Molecular Weight 397.507 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCCC)=O