| SpectraBase Compound ID | 6WpSQjW7fZ4 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-4-5-8(2)6-9(3)7-10/h5-7H,4H2,1-3H3/b8-5+,9-6+ |
| InChIKey | PHOBFHQBEYNKAL-XVYDYJIPSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGYUxvXYTgw |
|---|---|
| Name | 2,4-Heptadienal, 2,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-4-5-8(2)6-9(3)7-10/h5-7H,4H2,1-3H3/b8-5+,9-6+ |
| InChIKey | PHOBFHQBEYNKAL-XVYDYJIPSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C(\C=C\(\C=C\(C=O)C)C)C |