| SpectraBase Spectrum ID |
2qq1EQFIabY |
| Name |
L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.364857091 u |
| Formula |
C31H49F4NO3 |
| InChI |
InChI=1S/C31H49F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-30(38)28(24(2)3)36-29(37)25-21-20-22-26(27(25)32)31(33,34)35/h20-22,24,28H,4-19,23H2,1-3H3,(H,36,37) |
| InChIKey |
SVMSVINXLCDQPA-UHFFFAOYSA-N |
| Molecular Weight |
559.731 g/mol |
| SMILES |
C(C1=CC=CC(=C1F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)=O)(F)(F)F |
