| SpectraBase Spectrum ID |
H8tEkW89aSe |
| Name |
Succinic acid, 2,2-dichloroethyl 3-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.042564391 u |
| Formula |
C14H16Cl2O4 |
| InChI |
InChI=1S/C14H16Cl2O4/c1-2-10-4-3-5-11(8-10)20-14(18)7-6-13(17)19-9-12(15)16/h3-5,8,12H,2,6-7,9H2,1H3 |
| InChIKey |
OIRDOJXKWKCBGQ-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C(CC(OCC(Cl)Cl)=O)C(OC1=CC(=CC=C1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875865 |
