| SpectraBase Spectrum ID |
7TDRhYW8CZV |
| Name |
Diethylmalonic acid, monochloride, 2,5-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.993027376 u |
| Formula |
C13H13Cl3O3 |
| InChI |
InChI=1S/C13H13Cl3O3/c1-3-13(4-2,11(16)17)12(18)19-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3 |
| InChIKey |
ZYPBSJMDSDBQOB-UHFFFAOYSA-N |
| Molecular Weight |
323.603 g/mol |
| SMILES |
CCC(C(Cl)=O)(C(OC1=CC(=CC=C1Cl)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94171 |
