| SpectraBase Compound ID | 5HFM9kJuhpO |
|---|---|
| InChI | InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12H,3-11H2,1-2H3 |
| InChIKey | ZULQXFOAUSXCIJ-UHFFFAOYSA-N |
| Mol Weight | 248.79 g/mol |
| Molecular Formula | C13H25ClO2 |
| Exact Mass | 248.154308 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 39Xdw79uj97 |
|---|---|
| Name | 2- Chloropropionic acid, decyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.154307743 u |
| Formula | C13H25ClO2 |
| InChI | InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12H,3-11H2,1-2H3 |
| InChIKey | ZULQXFOAUSXCIJ-UHFFFAOYSA-N |
| Molecular Weight | 248.794 g/mol |
| SMILES | C(=O)(OCCCCCCCCCC)C(C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980567 |