| SpectraBase Spectrum ID |
H0whacMvOUT |
| Name |
Diethylmalonic acid, 4-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)20-12-9-7-11(16)8-10-12/h7-10H,4-6H2,1-3H3 |
| InChIKey |
RMBSYOLXIBKWOZ-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCC)=O)(C(OC1=CC=C(C=C1)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942323 |
