| SpectraBase Compound ID | 2WEthinP5Pl |
|---|---|
| InChI | InChI=1S/C9H20O/c1-4-5-9(10)7-6-8(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | KJMBBHZOLRRVMV-UHFFFAOYSA-N |
| Mol Weight | 144.26 g/mol |
| Molecular Formula | C9H20O |
| Exact Mass | 144.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4LZQ8PVUIac |
|---|---|
| Name | 4-Octanol, 7-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.151415263 u |
| Formula | C9H20O |
| InChI | InChI=1S/C9H20O/c1-4-5-9(10)7-6-8(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | KJMBBHZOLRRVMV-UHFFFAOYSA-N |
| Molecular Weight | 144.258 g/mol |
| SMILES | C(C(CCC)O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90648 |