| SpectraBase Spectrum ID |
LtPabSIr4yE |
| Name |
Fumaric acid, di(6-chlorohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.120814713 u |
| Formula |
C16H26Cl2O4 |
| InChI |
InChI=1S/C16H26Cl2O4/c17-11-5-1-3-7-13-21-15(19)9-10-16(20)22-14-8-4-2-6-12-18/h9-10H,1-8,11-14H2/b10-9+ |
| InChIKey |
PDYLRYYWGWXFNV-MDZDMXLPSA-N |
| Molecular Weight |
353.286 g/mol |
| SMILES |
C(CCCCCOC(\C=C\C(OCCCCCCCl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829937 |
