| SpectraBase Spectrum ID |
5mlgqOohKN9 |
| Name |
Diethylmalonic acid, monochloride, 4-chloro-2-methoxyphenyl 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/c1-4-14(5-2,12(16)17)13(18)20-10-7-6-9(15)8-11(10)19-3/h6-8H,4-5H2,1-3H3 |
| InChIKey |
BUWOVFOXZRSNQT-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C(C(C(Cl)=O)(CC)CC)(OC1=CC=C(C=C1OC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950937 |
