| SpectraBase Compound ID | KGcGJgKa2kL |
|---|---|
| InChI | InChI=1S/C8H17ClO/c1-3-4-5-6-8(2,10)7-9/h10H,3-7H2,1-2H3 |
| InChIKey | AQAXXHZUIZIQIL-UHFFFAOYSA-N |
| Mol Weight | 164.68 g/mol |
| Molecular Formula | C8H17ClO |
| Exact Mass | 164.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fvy22qZw3Ar |
|---|---|
| Name | 1-Chloro-2-methylheptan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.096792866 u |
| Formula | C8H17ClO |
| InChI | InChI=1S/C8H17ClO/c1-3-4-5-6-8(2,10)7-9/h10H,3-7H2,1-2H3 |
| InChIKey | AQAXXHZUIZIQIL-UHFFFAOYSA-N |
| Molecular Weight | 164.676 g/mol |
| SMILES | C(C(CCCCC)(O)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869648 |