| SpectraBase Spectrum ID |
LSk7GkSUS1P |
| Name |
Ethyl-2-chloro-3-oxo-3-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.039671911 u |
| Formula |
C11H11ClO3 |
| InChI |
InChI=1S/C11H11ClO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey |
FYIINBVGKBDRME-UHFFFAOYSA-N |
| Molecular Weight |
226.659 g/mol |
| SMILES |
C(=O)(C(Cl)C(=O)C1=CC=CC=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952331 |
