| SpectraBase Spectrum ID |
JTT0N8VzlTR |
| Name |
D-Alanine, 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 |
531.333556962 u |
| Formula |
C29H45F4NO3 |
| InChI |
InChI=1S/C29H45F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-28(36)23(2)34-27(35)24-20-19-21-25(26(24)30)29(31,32)33/h19-21,23H,3-18,22H2,1-2H3,(H,34,35) |
| InChIKey |
WBFUZMLEGKGRQK-UHFFFAOYSA-N |
| Molecular Weight |
531.677 g/mol |
| SMILES |
CC(NC(=O)C1=C(C(C(F)(F)F)=CC=C1)F)C(OCCCCCCCCCCCCCCCCCC)=O |
