| SpectraBase Spectrum ID |
1lj5AEcUr5N |
| Name |
Fumaric acid, 2,2-dichloroethyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.167764906 u |
| Formula |
C19H32Cl2O4 |
| InChI |
InChI=1S/C19H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-18(22)13-14-19(23)25-16-17(20)21/h13-14,17H,2-12,15-16H2,1H3/b14-13+ |
| InChIKey |
XEUKCOQEWZJXBR-BUHFOSPRSA-N |
| Molecular Weight |
395.367 g/mol |
| SMILES |
C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909282 |
