| SpectraBase Spectrum ID |
GwvgmY8a6ZH |
| Name |
L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.192706382 u |
| Formula |
C21H27F4NO3 |
| InChI |
InChI=1S/C21H27F4NO3/c1-2-3-4-5-6-7-13-29-20(28)18-9-8-12-26(18)19(27)16-14-15(21(23,24)25)10-11-17(16)22/h10-11,14,18H,2-9,12-13H2,1H3 |
| InChIKey |
ZQDNNMAZNYZDGS-UHFFFAOYSA-N |
| Molecular Weight |
417.445 g/mol |
| SMILES |
C1=C(C=C(C(=C1)F)C(N1CCCC1C(=O)OCCCCCCCC)=O)C(F)(F)F |
