| SpectraBase Spectrum ID |
Lpb5uHXShEp |
| Name |
Diethylmalonic acid, pentyl 2,3,6-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.066192317 u |
| Formula |
C18H23Cl3O4 |
| InChI |
InChI=1S/C18H23Cl3O4/c1-4-7-8-11-24-16(22)18(5-2,6-3)17(23)25-15-13(20)10-9-12(19)14(15)21/h9-10H,4-8,11H2,1-3H3 |
| InChIKey |
FCUMQYKJFGRTPP-UHFFFAOYSA-N |
| Molecular Weight |
409.737 g/mol |
| SMILES |
CCC(C(OCCCCC)=O)(C(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)CC |
