| SpectraBase Compound ID | BWn1nDFqqMQ |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h4,8-9H,1-2,5-6H2,3H3 |
| InChIKey | INSRWNOFDDRAKZ-UHFFFAOYSA-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 | EhFNySQFPjA |
|---|---|
| Name | 6-Methyl-1,6-heptadien-3-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/c1-4-8(9)6-5-7(2)3/h4,8-9H,1-2,5-6H2,3H3 |
| InChIKey | INSRWNOFDDRAKZ-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C=CC(CCC(=C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942941 |