| SpectraBase Spectrum ID |
ADjm1bqbvGF |
| Name |
Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.174907124 u |
| Formula |
C21H36BrF3O4 |
| InChI |
InChI=1S/C21H36BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-28-18(26)20(5-2,6-3)19(27)29-17(16-22)21(23,24)25/h17H,4-16H2,1-3H3 |
| InChIKey |
ZPJQCJZFULVDIK-UHFFFAOYSA-N |
| Molecular Weight |
489.414 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O |
