| SpectraBase Spectrum ID |
Ftt0hNd6SPg |
| Name |
L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.317906898 u |
| Formula |
C28H43F4NO3 |
| InChI |
InChI=1S/C28H43F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-36-27(35)25(21(2)3)33-26(34)22-18-17-19-23(24(22)29)28(30,31)32/h17-19,21,25H,4-16,20H2,1-3H3,(H,33,34) |
| InChIKey |
NHVQNFCCAZZWER-UHFFFAOYSA-N |
| Molecular Weight |
517.650 g/mol |
| SMILES |
C(C1=CC=CC(=C1F)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)=O)(F)(F)F |
