| SpectraBase Compound ID | Ktyk0IPNLDg |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6(2)4-7(3)5-8/h4,8H,1,5H2,2-3H3/b7-4+ |
| InChIKey | HCCGIYQWHSSNFP-QPJJXVBHSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1M1xH9Se7Hc |
|---|---|
| Name | (2E)-2,4-Dimethyl-1-penta-2,4-dienol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6(2)4-7(3)5-8/h4,8H,1,5H2,2-3H3/b7-4+ |
| InChIKey | HCCGIYQWHSSNFP-QPJJXVBHSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(\C=C\(CO)C)(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973352 |