| SpectraBase Spectrum ID |
DynOARGhTZo |
| Name |
D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, eicosyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.364857091 u |
| Formula |
C31H49F4NO3 |
| InChI |
InChI=1S/C31H49F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-39-30(38)25(2)36-29(37)27-24-26(31(33,34)35)21-22-28(27)32/h21-22,24-25H,3-20,23H2,1-2H3,(H,36,37) |
| InChIKey |
ZAWWEMJGIKHJFA-UHFFFAOYSA-N |
| Molecular Weight |
559.731 g/mol |
| SMILES |
CC(NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C(OCCCCCCCCCCCCCCCCCCCC)=O |
