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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester
SpectraBase Compound ID 2CZ1RXLqsYI
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)20-17-19(24)14-15-21(20)25/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChIKey HANUNBRHPPYHGS-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H35F2NO3
Exact Mass 411.2585 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 E07VdcLu3t1
Name D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.258500314 u
Formula C23H35F2NO3
InChI InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)20-17-19(24)14-15-21(20)25/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChIKey HANUNBRHPPYHGS-UHFFFAOYSA-N
Molecular Weight 411.534 g/mol
SMILES CC(NC(=O)C1=C(C=CC(=C1)F)F)C(OCCCCCCCCCCCCC)=O