| SpectraBase Spectrum ID |
1hMoptKjPfz |
| Name |
6,6-Dichloro-7-ethoxy-7-oxo-4-(trifluoromethyl)heptyl 4-(tert-butyl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.123849234 u |
| Formula |
C21H27Cl2F3O4 |
| InChI |
InChI=1S/C21H27Cl2F3O4/c1-5-29-18(28)20(22,23)13-16(21(24,25)26)7-6-12-30-17(27)14-8-10-15(11-9-14)19(2,3)4/h8-11,16H,5-7,12-13H2,1-4H3 |
| InChIKey |
DMJQKZQARPNCSD-UHFFFAOYSA-N |
| Molecular Weight |
471.344 g/mol |
| SMILES |
C1=CC(=CC=C1C(C)(C)C)C(=O)OCCCC(CC(C(OCC)=O)(Cl)Cl)C(F)(F)F |
