| SpectraBase Spectrum ID |
E69ZNKSiU7h |
| Name |
D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, nonadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.349207026 u |
| Formula |
C30H47F4NO3 |
| InChI |
InChI=1S/C30H47F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-29(37)24(2)35-28(36)26-23-25(31)20-21-27(26)30(32,33)34/h20-21,23-24H,3-19,22H2,1-2H3,(H,35,36) |
| InChIKey |
FQLOAADPFLAQIU-UHFFFAOYSA-N |
| Molecular Weight |
545.704 g/mol |
| SMILES |
CC(NC(=O)C=1C(C(F)(F)F)=CC=C(C1)F)C(OCCCCCCCCCCCCCCCCCCC)=O |
