| SpectraBase Compound ID | HMuvCe1Ga7j |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-7,9H,1-3H3/b6-4+,7-5+ |
| InChIKey | WOESLLXUFWIHIZ-YDFGWWAZSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5CLhUifcJHA |
|---|---|
| Name | (2E,5E)-4-Methylhepta-2,5-dien-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-7,9H,1-3H3/b6-4+,7-5+ |
| InChIKey | WOESLLXUFWIHIZ-YDFGWWAZSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(\C=C\C)(\C=C\C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849171 |