| SpectraBase Spectrum ID |
3cu2NDaUx2V |
| Name |
Diethylmalonic acid, 2-chloro-5-methylphenyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.206737239 u |
| Formula |
C22H33ClO4 |
| InChI |
InChI=1S/C22H33ClO4/c1-5-8-9-10-11-12-15-26-20(24)22(6-2,7-3)21(25)27-19-16-17(4)13-14-18(19)23/h13-14,16H,5-12,15H2,1-4H3 |
| InChIKey |
UQWLVXXPANUXOT-UHFFFAOYSA-N |
| Molecular Weight |
396.955 g/mol |
| SMILES |
CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC |
