| SpectraBase Spectrum ID |
2DOzsDju2vc |
| Name |
Diethylmalonic acid, pentadecyl 2,3,5-trichlorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
548.222692961 u |
| Formula |
C28H43Cl3O4 |
| InChI |
InChI=1S/C28H43Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-34-26(32)28(5-2,6-3)27(33)35-24-21-22(29)20-23(30)25(24)31/h20-21H,4-19H2,1-3H3 |
| InChIKey |
LDGKKSBQQXKTKN-UHFFFAOYSA-N |
| Molecular Weight |
550.007 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O)CC |
