| SpectraBase Spectrum ID |
JdmLGOYfjJ5 |
| Name |
Diethylmalonic acid, tetradecyl 2,3,5-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.207042896 u |
| Formula |
C27H41Cl3O4 |
| InChI |
InChI=1S/C27H41Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-33-25(31)27(5-2,6-3)26(32)34-23-20-21(28)19-22(29)24(23)30/h19-20H,4-18H2,1-3H3 |
| InChIKey |
CEODCIMUVFQOQN-UHFFFAOYSA-N |
| Molecular Weight |
535.980 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O)CC |
