| SpectraBase Spectrum ID |
6OLZukGVZit |
| Name |
L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.192706382 u |
| Formula |
C20H27F4NO3 |
| InChI |
InChI=1S/C20H27F4NO3/c1-4-5-6-7-8-12-28-19(27)17(13(2)3)25-18(26)14-10-9-11-15(16(14)21)20(22,23)24/h9-11,13,17H,4-8,12H2,1-3H3,(H,25,26) |
| InChIKey |
VAZYUMFUEUPUHL-UHFFFAOYSA-N |
| Molecular Weight |
405.434 g/mol |
| SMILES |
CCCCCCCOC(C(NC(=O)C1=CC=CC(=C1F)C(F)(F)F)C(C)C)=O |
