| SpectraBase Spectrum ID |
EhNFZHOx46b |
| Name |
Diethylmalonic acid, 2-chlorophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.097186788 u |
| Formula |
C15H19ClO4 |
| InChI |
InChI=1S/C15H19ClO4/c1-4-15(5-2,13(17)19-6-3)14(18)20-12-10-8-7-9-11(12)16/h7-10H,4-6H2,1-3H3 |
| InChIKey |
IANSDYNABKEQDR-UHFFFAOYSA-N |
| SMILES |
C(C(C(OCC)=O)(C(OC1=CC=CC=C1Cl)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915104 |
