| SpectraBase Spectrum ID |
D1YenzaKL2i |
| Name |
D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.302256833 u |
| Formula |
C27H41F4NO3 |
| InChI |
InChI=1S/C27H41F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-26(34)21(2)32-25(33)22-18-17-19-23(24(22)28)27(29,30)31/h17-19,21H,3-16,20H2,1-2H3,(H,32,33) |
| InChIKey |
HQMUMQLPQKZIDE-UHFFFAOYSA-N |
| Molecular Weight |
503.623 g/mol |
| SMILES |
CC(NC(=O)C1=C(C(C(F)(F)F)=CC=C1)F)C(OCCCCCCCCCCCCCCCC)=O |
