| SpectraBase Compound ID | 7TbC0iVbDvO |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-4-6-7-8(3)11-9(10)5-2/h4,7H,1,5-6H2,2-3H3/b8-7+ |
| InChIKey | BWFMNYKNFHQNOV-BQYQJAHWSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LUyPOmB4GPE |
|---|---|
| Name | (E)-2-Methyl-2,5-hexadien-2-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-4-6-7-8(3)11-9(10)5-2/h4,7H,1,5-6H2,2-3H3/b8-7+ |
| InChIKey | BWFMNYKNFHQNOV-BQYQJAHWSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(O\C(=C\CC=C)C)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930978 |