| SpectraBase Spectrum ID |
KAYkaosIagr |
| Name |
Glutaric acid, di(4-chloromethylbenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.089514584 u |
| Formula |
C21H22Cl2O4 |
| InChI |
InChI=1S/C21H22Cl2O4/c22-12-16-4-8-18(9-5-16)14-26-20(24)2-1-3-21(25)27-15-19-10-6-17(13-23)7-11-19/h4-11H,1-3,12-15H2 |
| InChIKey |
BJXASDOUPIVPOW-UHFFFAOYSA-N |
| Molecular Weight |
409.309 g/mol |
| SMILES |
C(OCC=1C=CC(=CC1)CCl)(=O)CCCC(OCC1=CC=C(CCl)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898026 |
