| SpectraBase Spectrum ID |
2ciB0LxDFzK |
| Name |
Fumaric acid, decyl 2,2-dichloroethyl 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/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey |
LAROUSPUHKQQBD-ZHACJKMWSA-N |
| Molecular Weight |
353.286 g/mol |
| SMILES |
C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816206 |
