| SpectraBase Spectrum ID |
GEGTtUjRZGs |
| Name |
D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.177056318 u |
| Formula |
C19H25F4NO3 |
| InChI |
InChI=1S/C19H25F4NO3/c1-3-4-5-6-7-8-12-27-18(26)13(2)24-17(25)14-10-9-11-15(16(14)20)19(21,22)23/h9-11,13H,3-8,12H2,1-2H3,(H,24,25) |
| InChIKey |
XUAQAJLHQBJQOC-UHFFFAOYSA-N |
| Molecular Weight |
391.407 g/mol |
| SMILES |
CC(NC(=O)C1=C(C(C(F)(F)F)=CC=C1)F)C(OCCCCCCCC)=O |
