| SpectraBase Spectrum ID |
5G3HBfZ3RJ4 |
| Name |
Diethylmalonic acid, octyl 2,3,6-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.113142510 u |
| Formula |
C21H29Cl3O4 |
| InChI |
InChI=1S/C21H29Cl3O4/c1-4-7-8-9-10-11-14-27-19(25)21(5-2,6-3)20(26)28-18-16(23)13-12-15(22)17(18)24/h12-13H,4-11,14H2,1-3H3 |
| InChIKey |
VRYHMVIHEYIPBO-UHFFFAOYSA-N |
| Molecular Weight |
451.818 g/mol |
| SMILES |
CCC(C(OCCCCCCCC)=O)(C(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)CC |
