| SpectraBase Compound ID | 68KPVQv3yJr |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-8(2)6-4-5-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+ |
| InChIKey | FCOKDQNKFFNMCM-SOFGYWHQSA-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 | L68x8E0itfi |
|---|---|
| Name | (E)-5-Methyl-4,6-heptadien-1-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/c1-3-8(2)6-4-5-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+ |
| InChIKey | FCOKDQNKFFNMCM-SOFGYWHQSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(\C(=C\CCCO)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914545 |