| SpectraBase Compound ID | GUe0jfvGazL |
|---|---|
| InChI | InChI=1S/C14H12O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h1-12H/b2-1+,8-3+,11-7+ |
| InChIKey | IINJBTILWKDOBM-DAOKVGSISA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C14H12O2 |
| Exact Mass | 212.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s6pDXeKUdt |
|---|---|
| Name | 8-oxo-8-Phenylocta-2E,4E,6E-trienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.083729624 u |
| Formula | C14H12O2 |
| InChI | InChI=1S/C14H12O2/c15-12-8-3-1-2-7-11-14(16)13-9-5-4-6-10-13/h1-12H/b2-1+,8-3+,11-7+ |
| InChIKey | IINJBTILWKDOBM-DAOKVGSISA-N |
| Molecular Weight | 212.248 g/mol |
| SMILES | C(\C=C\C=C\C=C\C=O)(=O)C1=CC=CC=C1 |