| SpectraBase Spectrum ID |
LoOdS3ImwH7 |
| Name |
L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, hexyl 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/c1-4-5-6-7-8-27-18(26)16(12(2)3)24-17(25)13-9-14(19(21,22)23)11-15(20)10-13/h9-12,16H,4-8H2,1-3H3,(H,24,25) |
| InChIKey |
MNOFMEAOQOCIRT-UHFFFAOYSA-N |
| Molecular Weight |
391.407 g/mol |
| SMILES |
C(C1=CC(=CC(=C1)C(NC(C(C)C)C(OCCCCCC)=O)=O)F)(F)(F)F |
