| SpectraBase Compound ID | 6uj3lYGZphY |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h3-5,8H,6H2,1-2H3/b5-4+,7-3+ |
| InChIKey | WGDNYTTYAVSARF-JLVHPEPXSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DhrP7xdQIQA |
|---|---|
| Name | (2E,4E)-4-Methylhexa-2,4-dien-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h3-5,8H,6H2,1-2H3/b5-4+,7-3+ |
| InChIKey | WGDNYTTYAVSARF-JLVHPEPXSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(\C=C\C(=C\C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984531 |