| SpectraBase Spectrum ID |
GcmJnVE2fiO |
| Name |
L-Valine, N-(3-fluoro-5-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-27(35)25(21(2)3)33-26(34)22-18-23(28(30,31)32)20-24(29)19-22/h18-21,25H,4-17H2,1-3H3,(H,33,34) |
| InChIKey |
WUIWIUKVQSUZJG-UHFFFAOYSA-N |
| Molecular Weight |
517.650 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C(NC(C1=CC(C(F)(F)F)=CC(=C1)F)=O)C(C)C)=O |
