| SpectraBase Compound ID | JC1IouYPA1r |
|---|---|
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2+,6-5+ |
| InChIKey | ZKKRKBOEKNOTPX-ZIMISOLQSA-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 | HwcuLPfeRLI |
|---|---|
| Name | 2,5-Heptadien-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/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2+,6-5+ |
| InChIKey | ZKKRKBOEKNOTPX-ZIMISOLQSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OC\C=C\C\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896794 |