| SpectraBase Spectrum ID |
D1kvoITS2N6 |
| Name |
L-Valine, N-(3-fluoro-5-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)6-5-7-27-18(26)16(12(3)4)24-17(25)13-8-14(19(21,22)23)10-15(20)9-13/h8-12,16H,5-7H2,1-4H3,(H,24,25) |
| InChIKey |
VLNATCQZWHYGNF-UHFFFAOYSA-N |
| Molecular Weight |
391.407 g/mol |
| SMILES |
C(C1=CC(=CC(=C1)C(NC(C(C)C)C(OCCCC(C)C)=O)=O)F)(F)(F)F |
