| SpectraBase Spectrum ID |
KzHXArek6BG |
| Name |
Glutaric acid, 2,2-dichloroethyl 2-methylphenyl 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/c1-10-5-2-3-6-11(10)20-14(18)8-4-7-13(17)19-9-12(15)16/h2-3,5-6,12H,4,7-9H2,1H3 |
| InChIKey |
XPHLYCYFAKQAQQ-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911413 |
