| SpectraBase Spectrum ID |
LoxvbdaU90u |
| Name |
L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl 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/c1-11(2)7-6-10-27-18(26)16(12(3)4)24-17(25)13-8-5-9-14(15(13)20)19(21,22)23/h5,8-9,11-12,16H,6-7,10H2,1-4H3,(H,24,25) |
| InChIKey |
LMGVXSICSIWZFO-UHFFFAOYSA-N |
| Molecular Weight |
391.407 g/mol |
| SMILES |
C(NC(C(C)C)C(=O)OCCCC(C)C)(=O)C1=CC=CC(=C1F)C(F)(F)F |
