| SpectraBase Spectrum ID |
6rX5LSv1alQ |
| Name |
Glutaric acid, 2,2-dichloroethyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.073864520 u |
| Formula |
C13H20Cl2O4 |
| InChI |
InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h3-4,11H,2,5-10H2,1H3/b4-3+ |
| InChIKey |
OLTFUUWZUDOCQS-ONEGZZNKSA-N |
| Molecular Weight |
311.205 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908439 |
