| SpectraBase Compound ID | 99entTn21mk |
|---|---|
| InChI | InChI=1S/C8H17ClO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,5H2,1-4H3 |
| InChIKey | WROJCMCLAGGTON-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 | IGRDlnrlLAb |
|---|---|
| Name | 1-Chloro-2,2,4-trimethylpentan-3-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/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,5H2,1-4H3 |
| InChIKey | WROJCMCLAGGTON-UHFFFAOYSA-N |
| Molecular Weight | 164.676 g/mol |
| SMILES | C(C(C(C)C)O)(CCl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948793 |