| SpectraBase Spectrum ID |
Kpmdc5BdUDd |
| Name |
D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.255306640 u |
| Formula |
C24H35F4NO3 |
| InChI |
InChI=1S/C24H35F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-32-23(31)18(2)29-22(30)19-15-20(24(26,27)28)17-21(25)16-19/h15-18H,3-14H2,1-2H3,(H,29,30) |
| InChIKey |
ZTEXQXRPDVHXAN-UHFFFAOYSA-N |
| Molecular Weight |
461.542 g/mol |
| SMILES |
C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCCCCC)=O)C |
