| SpectraBase Compound ID | 9nz2rgvHI1v |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-7,9H,1-2H3/b4-3+,6-5+ |
| InChIKey | PWLGDDGDANMKPF-VNKDHWASSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4qljdXrLUP |
|---|---|
| Name | (2E,5E)-7-Hydroxyocta-2,5-dien-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-3-4-8(10)6-5-7(2)9/h3-7,9H,1-2H3/b4-3+,6-5+ |
| InChIKey | PWLGDDGDANMKPF-VNKDHWASSA-N |
| SMILES | C(\C=C\C(\C=C\C)=O)(O)C |