| SpectraBase Spectrum ID |
JsPkSPqBcoS |
| Name |
D-Alanine, N-(2-fluoro-6-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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38-29(37)24(2)35-28(36)27-25(30(32,33)34)21-20-22-26(27)31/h20-22,24H,3-19,23H2,1-2H3,(H,35,36) |
| InChIKey |
WHBRAIAZUSOMPT-UHFFFAOYSA-N |
| Molecular Weight |
545.704 g/mol |
| SMILES |
CC(NC(=O)C=1C(C(F)(F)F)=CC=CC1F)C(OCCCCCCCCCCCCCCCCCCC)=O |
