| SpectraBase Spectrum ID |
Jru70AH3MV0 |
| Name |
Succinic acid, 2,2-dichloroethyl cis-hex-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.058214456 u |
| Formula |
C12H18Cl2O4 |
| InChI |
InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h4-5,10H,2-3,6-9H2,1H3/b5-4- |
| InChIKey |
ORLYGSSKIUQJBX-PLNGDYQASA-N |
| Molecular Weight |
297.178 g/mol |
| SMILES |
C(CC(OCC(Cl)Cl)=O)C(OC\C=C/CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981407 |
