| SpectraBase Spectrum ID |
EUMW9LcoHBl |
| Name |
D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.224006511 u |
| Formula |
C22H31F4NO3 |
| InChI |
InChI=1S/C22H31F4NO3/c1-3-4-5-6-7-8-9-10-11-15-30-21(29)16(2)27-20(28)17-13-12-14-18(19(17)23)22(24,25)26/h12-14,16H,3-11,15H2,1-2H3,(H,27,28) |
| InChIKey |
WFKOQAGTRGJPDA-UHFFFAOYSA-N |
| Molecular Weight |
433.488 g/mol |
| SMILES |
CC(NC(=O)C1=C(C(C(F)(F)F)=CC=C1)F)C(OCCCCCCCCCCC)=O |
