| SpectraBase Compound ID | 91LivQlNa7Q |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey | UBLWTRYMJZIZQM-TWTPFVCWSA-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 | 6rC9pPY6wKt |
|---|---|
| Name | (4E,6E)-Octa-4,6-dien-3-one |
| 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/c1-3-5-6-7-8(9)4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ |
| InChIKey | UBLWTRYMJZIZQM-TWTPFVCWSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C\C=C\C=C\C(=O)CC |