| SpectraBase Compound ID | 8YvZxyH5PbW |
|---|---|
| InChI | InChI=1S/C8H15ClO2/c1-3-7(2)6-11-8(10)4-5-9/h7H,3-6H2,1-2H3 |
| InChIKey | OWUAQMGVGFPXQP-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C8H15ClO2 |
| Exact Mass | 178.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DtKfhZ3HtZW |
|---|---|
| Name | 3-Chloropropionic acid, 2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.076057421 u |
| Formula | C8H15ClO2 |
| InChI | InChI=1S/C8H15ClO2/c1-3-7(2)6-11-8(10)4-5-9/h7H,3-6H2,1-2H3 |
| InChIKey | OWUAQMGVGFPXQP-UHFFFAOYSA-N |
| Molecular Weight | 178.659 g/mol |
| SMILES | C(CC(=O)OCC(CC)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987173 |