| SpectraBase Compound ID | 2OLntmZbIwD |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-11(14)7-9-13(15)10-8-12-5-3-2-4-6-12/h2-10H,1H3/b9-7+,10-8+ |
| InChIKey | PCUVDVYIYZAASX-FIFLTTCUSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RKy78FY02G |
|---|---|
| Name | (3E,6E)-7-Phenylhepta-3,6-diene-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c1-11(14)7-9-13(15)10-8-12-5-3-2-4-6-12/h2-10H,1H3/b9-7+,10-8+ |
| InChIKey | PCUVDVYIYZAASX-FIFLTTCUSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C(\C=C\C(\C=C\C=1C=CC=CC1)=O)(=O)C |