| SpectraBase Spectrum ID |
6R9puLtyQBd |
| Name |
D-Alanine, N-(2,6-difluorobenzoyl)-, nonadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.352400700 u |
| Formula |
C29H47F2NO3 |
| InChI |
InChI=1S/C29H47F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-29(34)24(2)32-28(33)27-25(30)21-20-22-26(27)31/h20-22,24H,3-19,23H2,1-2H3,(H,32,33) |
| InChIKey |
ATKLEPVXCRZGSV-UHFFFAOYSA-N |
| Molecular Weight |
495.696 g/mol |
| SMILES |
C(NC(=O)C1=C(C=CC=C1F)F)(C(OCCCCCCCCCCCCCCCCCCC)=O)C |
