| SpectraBase Compound ID | GfJCG7DA9Ok |
|---|---|
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2,4-5,8H,1,3,6-7H2/b5-4+ |
| InChIKey | IUWNOJSDBXCPJV-SNAWJCMRSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Cs5RHlKNyz |
|---|---|
| Name | 4,7-Octadienal, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2,4-5,8H,1,3,6-7H2/b5-4+ |
| InChIKey | IUWNOJSDBXCPJV-SNAWJCMRSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(\C=C\CC=C)CC=O |