| SpectraBase Spectrum ID |
GsUJ0YM5c6G |
| Name |
D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.349207026 u |
| Formula |
C30H47F4NO3 |
| InChI |
InChI=1S/C30H47F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-29(37)24(2)35-28(36)25-21-26(30(32,33)34)23-27(31)22-25/h21-24H,3-20H2,1-2H3,(H,35,36) |
| InChIKey |
BZGNULVAMKMXJC-UHFFFAOYSA-N |
| Molecular Weight |
545.704 g/mol |
| SMILES |
C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCCCCCCCCCCC)=O)C |
