| SpectraBase Spectrum ID |
EsDBNeVzryl |
| Name |
Adipic acid, di(8-chloroctyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.230365164 u |
| Formula |
C22H40Cl2O4 |
| InChI |
InChI=1S/C22H40Cl2O4/c23-17-11-5-1-3-7-13-19-27-21(25)15-9-10-16-22(26)28-20-14-8-4-2-6-12-18-24/h1-20H2 |
| InChIKey |
JSYHJQNEMOYMQH-UHFFFAOYSA-N |
| Molecular Weight |
439.464 g/mol |
| SMILES |
C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928299 |
