| SpectraBase Spectrum ID |
63hpskjmOYQ |
| Name |
Diethylmalonic acid, 8-chlorooctyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.284987561 u |
| Formula |
C23H43ClO4 |
| InChI |
InChI=1S/C23H43ClO4/c1-4-7-8-9-13-16-19-27-21(25)23(5-2,6-3)22(26)28-20-17-14-11-10-12-15-18-24/h4-20H2,1-3H3 |
| InChIKey |
JMBOAYCMTXCVOU-UHFFFAOYSA-N |
| Molecular Weight |
419.046 g/mol |
| SMILES |
C(C(C(OCCCCCCCC)=O)(CC)CC)(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86397 |
