| SpectraBase Compound ID | C7xQnsaA34d |
|---|---|
| InChI | InChI=1S/C10H22O/c1-5-7-9(3)10(4,11)8-6-2/h9,11H,5-8H2,1-4H3 |
| InChIKey | PWNALIKJDDOCBB-UHFFFAOYSA-N |
| Mol Weight | 158.28 g/mol |
| Molecular Formula | C10H22O |
| Exact Mass | 158.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2SgQqxEdOgI |
|---|---|
| Name | 4-Octanol, 4,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.167065327 u |
| Formula | C10H22O |
| InChI | InChI=1S/C10H22O/c1-5-7-9(3)10(4,11)8-6-2/h9,11H,5-8H2,1-4H3 |
| InChIKey | PWNALIKJDDOCBB-UHFFFAOYSA-N |
| Molecular Weight | 158.285 g/mol |
| SMILES | C(C(CCC)(C)O)(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965851 |