| SpectraBase Compound ID | BU6YZnjDDOq |
|---|---|
| InChI | InChI=1S/C8H16O/c1-5-7(3)8(4,9)6-2/h5,7,9H,1,6H2,2-4H3 |
| InChIKey | VQOIEBBAEXCVRV-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8jcrdu0e91N |
|---|---|
| Name | 3,4-Dimethyl-5-hexen-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-5-7(3)8(4,9)6-2/h5,7,9H,1,6H2,2-4H3 |
| InChIKey | VQOIEBBAEXCVRV-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C=CC(C)C(CC)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918101 |