| SpectraBase Compound ID | Fn5ZfjIHUKE |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4-5,7-8H,1H2,2-3H3/b6-5- |
| InChIKey | GXXHYVYPWMLRJY-WAYWQWQTSA-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 | EV0AeSeUfDL |
|---|---|
| Name | 3,5-Hexadien-2-ol, 4-methyl-, (Z)- |
| 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/c1-4-6(2)5-7(3)8/h4-5,7-8H,1H2,2-3H3/b6-5- |
| InChIKey | GXXHYVYPWMLRJY-WAYWQWQTSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(\C(=C/C(O)C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83565 |