| SpectraBase Compound ID | 1FNwJk0VVBs |
|---|---|
| InChI | InChI=1S/C6H11ClO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChIKey | OMPRMWFZHLNRQJ-UHFFFAOYSA-N |
| Mol Weight | 150.6 g/mol |
| Molecular Formula | C6H11ClO2 |
| Exact Mass | 150.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1klKzUeF2pV |
|---|---|
| Name | 2-Chlorohexanoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.044757292 u |
| Formula | C6H11ClO2 |
| InChI | InChI=1S/C6H11ClO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChIKey | OMPRMWFZHLNRQJ-UHFFFAOYSA-N |
| SMILES | C(=O)(C(Cl)CCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956232 |