| SpectraBase Spectrum ID |
7bzdZAeLDbI |
| Name |
L-Valine, N-(3-fluoro-5-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-30(38)28(24(2)3)36-29(37)25-21-26(31(33,34)35)23-27(32)22-25/h21-24,28H,4-20H2,1-3H3,(H,36,37) |
| InChIKey |
ISDQHYHDEONOOL-UHFFFAOYSA-N |
| Molecular Weight |
559.731 g/mol |
| SMILES |
C(C1=CC(=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)=O)F)(F)(F)F |
