| SpectraBase Compound ID | 8hEInFZ0qxN |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-7(2)5-8(3)6-9/h9H,1,3,5-6H2,2H3 |
| InChIKey | XLHGSNYNHYYPNZ-UHFFFAOYSA-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 | I7Ok3Pz5KDt |
|---|---|
| Name | 4-Methyl-2-methylene-4,5-hexadien-1-ol |
| 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/c1-4-7(2)5-8(3)6-9/h9H,1,3,5-6H2,2H3 |
| InChIKey | XLHGSNYNHYYPNZ-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(=C=C)(CC(=C)CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818592 |