| SpectraBase Spectrum ID |
Bq5FuQf8ej4 |
| Name |
Succinic acid, 2,2-dichloroethyl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.089514584 u |
| Formula |
C13H22Cl2O4 |
| InChI |
InChI=1S/C13H22Cl2O4/c1-3-5-10(6-4-2)19-13(17)8-7-12(16)18-9-11(14)15/h10-11H,3-9H2,1-2H3 |
| InChIKey |
SGVQWEYJTWQQRB-UHFFFAOYSA-N |
| Molecular Weight |
313.221 g/mol |
| SMILES |
C(CC(OCC(Cl)Cl)=O)C(OC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955138 |
