| SpectraBase Compound ID | DETkSe4OUVT |
|---|---|
| InChI | InChI=1S/C12H11NO/c14-11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-11H/b2-1+,5-3+,6-4+ |
| InChIKey | OCURRULACZGACM-CRQXNEITSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXwfEDMYWrs |
|---|---|
| Name | 7-(4'-Pyridinyl)hepta-2,4,6-trienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c14-11-5-3-1-2-4-6-12-7-9-13-10-8-12/h1-11H/b2-1+,5-3+,6-4+ |
| InChIKey | OCURRULACZGACM-CRQXNEITSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C=1N=CC=C(C1)\C=C\C=C\C=C\C=O |