| SpectraBase Spectrum ID |
CBqk3K6AnS6 |
| Name |
Glutaric acid, 2,5-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/c1-2-19-13(17)4-3-5-14(18)20-9-10-8-11(15)6-7-12(10)16/h6-8H,2-5,9H2,1H3 |
| InChIKey |
RFBCHMWUQVKCJR-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C(OCC1=CC(=CC=C1Cl)Cl)(=O)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819848 |
