| SpectraBase Spectrum ID |
D0Ov6sGNSd5 |
| Name |
Glutaric acid, di(8-chlorooctyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.214715100 u |
| Formula |
C21H38Cl2O4 |
| InChI |
InChI=1S/C21H38Cl2O4/c22-16-9-5-1-3-7-11-18-26-20(24)14-13-15-21(25)27-19-12-8-4-2-6-10-17-23/h1-19H2 |
| InChIKey |
YMTYKVSZHOIKLD-UHFFFAOYSA-N |
| Molecular Weight |
425.437 g/mol |
| SMILES |
C(CCCCCCCOC(CCCC(OCCCCCCCCCl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914722 |
