| SpectraBase Compound ID | J7tVIqMnCJO |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h4-6,9H,3,7H2,1-2H3/b5-4+,8-6- |
| InChIKey | AWKMBHFZGDBERK-LMJRQTCTSA-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 | 4Z4jadKGkIW |
|---|---|
| Name | 2,4-Heptadien-1-ol, 3-methyl-, (Z,E)- |
| 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/c1-3-4-5-8(2)6-7-9/h4-6,9H,3,7H2,1-2H3/b5-4+,8-6- |
| InChIKey | AWKMBHFZGDBERK-LMJRQTCTSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(\C=C\C(=C/CO)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914897 |