| SpectraBase Spectrum ID |
AUpdJ8oa6qt |
| Name |
Diethylmalonic acid, hexyl 2,3,5-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.081842381 u |
| Formula |
C19H25Cl3O4 |
| InChI |
InChI=1S/C19H25Cl3O4/c1-4-7-8-9-10-25-17(23)19(5-2,6-3)18(24)26-15-12-13(20)11-14(21)16(15)22/h11-12H,4-10H2,1-3H3 |
| InChIKey |
ZWXZMSOLTCMAPU-UHFFFAOYSA-N |
| Molecular Weight |
423.764 g/mol |
| SMILES |
CCC(C(OCCCCCC)=O)(C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O)CC |
