| SpectraBase Spectrum ID |
3rVAzhRBQfM |
| Name |
Diethylmalonic acid, 2,4-dichlorophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.058214456 u |
| Formula |
C15H18Cl2O4 |
| InChI |
InChI=1S/C15H18Cl2O4/c1-4-15(5-2,13(18)20-6-3)14(19)21-12-8-7-10(16)9-11(12)17/h7-9H,4-6H2,1-3H3 |
| InChIKey |
TXHPGNZFICQSLZ-UHFFFAOYSA-N |
| Molecular Weight |
333.211 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OC1=CC=C(C=C1Cl)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885382 |
