| SpectraBase Compound ID | C35qaOdEkFj |
|---|---|
| InChI | InChI=1S/C9H15ClO3/c1-2-13-9(12)7-8(11)5-3-4-6-10/h2-7H2,1H3 |
| InChIKey | OXPOIABOXLXYKI-UHFFFAOYSA-N |
| Mol Weight | 206.67 g/mol |
| Molecular Formula | C9H15ClO3 |
| Exact Mass | 206.070972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5P511TZgzXi |
|---|---|
| Name | Ethyl 7-chloro-3-oxoheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.070972040 u |
| Formula | C9H15ClO3 |
| InChI | InChI=1S/C9H15ClO3/c1-2-13-9(12)7-8(11)5-3-4-6-10/h2-7H2,1H3 |
| InChIKey | OXPOIABOXLXYKI-UHFFFAOYSA-N |
| Molecular Weight | 206.669 g/mol |
| SMILES | C(CC(CCCCCl)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878831 |