| SpectraBase Compound ID | GXjXEAzv5gD |
|---|---|
| InChI | InChI=1S/C9H16Cl2O2/c10-6-3-1-2-4-8-13-9(12)5-7-11/h1-8H2 |
| InChIKey | QNSCVZNHSUQNHT-UHFFFAOYSA-N |
| Mol Weight | 227.13 g/mol |
| Molecular Formula | C9H16Cl2O2 |
| Exact Mass | 226.052735 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FNdSzUb1CiQ |
|---|---|
| Name | 3-Chloropropionic acid, 6-chlorohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.052735153 u |
| Formula | C9H16Cl2O2 |
| InChI | InChI=1S/C9H16Cl2O2/c10-6-3-1-2-4-8-13-9(12)5-7-11/h1-8H2 |
| InChIKey | QNSCVZNHSUQNHT-UHFFFAOYSA-N |
| Molecular Weight | 227.131 g/mol |
| SMILES | C(CC(=O)OCCCCCCCl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833181 |