| SpectraBase Compound ID | 5M6pGLozDIW |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-5-6-7-8(2,3)9/h5-7,9H,1H2,2-3H3/b7-6+ |
| InChIKey | GGKKXZOBOIGGCN-VOTSOKGWSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A1zDqXToaMz |
|---|---|
| Name | 3,5,6-Heptatrien-2-ol, 2-methyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-4-5-6-7-8(2,3)9/h5-7,9H,1H2,2-3H3/b7-6+ |
| InChIKey | GGKKXZOBOIGGCN-VOTSOKGWSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(=C=C)\C=C\C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901476 |