| SpectraBase Spectrum ID |
Ae6VGhGkShF |
| Name |
Glutaric acid, 2,3-dichlorobenzyl ethyl 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/c1-2-19-12(17)7-4-8-13(18)20-9-10-5-3-6-11(15)14(10)16/h3,5-6H,2,4,7-9H2,1H3 |
| InChIKey |
VCRJKHHOODSIRM-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843137 |
