| SpectraBase Spectrum ID |
BKor1MNd5mo |
| Name |
L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.177056318 u |
| Formula |
C20H25F4NO3 |
| InChI |
InChI=1S/C20H25F4NO3/c1-2-3-4-5-6-12-28-19(27)17-8-7-11-25(17)18(26)15-13-14(20(22,23)24)9-10-16(15)21/h9-10,13,17H,2-8,11-12H2,1H3 |
| InChIKey |
NPKRWMJWNDXSCM-UHFFFAOYSA-N |
| Molecular Weight |
403.418 g/mol |
| SMILES |
C1=C(C=C(C(=C1)F)C(N1CCCC1C(OCCCCCCC)=O)=O)C(F)(F)F |
