| SpectraBase Spectrum ID |
3M6D8ibogkS |
| Name |
Succinic acid, 2-ethylhexyl 10-chlorodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.269337496 u |
| Formula |
C22H41ClO4 |
| InChI |
InChI=1S/C22H41ClO4/c1-3-5-14-20(4-2)19-27-22(25)16-15-21(24)26-18-13-11-9-7-6-8-10-12-17-23/h20H,3-19H2,1-2H3 |
| InChIKey |
FVVGXOUZYZKJKN-UHFFFAOYSA-N |
| Molecular Weight |
405.019 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OCCCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954686 |
