| SpectraBase Compound ID | HMiamzPKbhq |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+ |
| InChIKey | LWRKMRFJEUFXIB-SCFJQAPRSA-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 | 5vxRSaR9ZiX |
|---|---|
| Name | Trans-3,cis-5-octadien-2-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/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+ |
| InChIKey | LWRKMRFJEUFXIB-SCFJQAPRSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | CC(\C=C\C=C/CC)=O |