| SpectraBase Compound ID | BfXvEcj3PrV |
|---|---|
| InChI | InChI=1S/C14H11NO/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15-10-12/h1-11H/b14-9+ |
| InChIKey | XFKWRTCWFKLHLQ-NTEUORMPSA-N |
| Mol Weight | 209.25 g/mol |
| Molecular Formula | C14H11NO |
| Exact Mass | 209.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhG3k1VdAPQ |
|---|---|
| Name | Benzeneacetaldehyde, alpha-(3-pyridinylmethylene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.084063977 u |
| Formula | C14H11NO |
| InChI | InChI=1S/C14H11NO/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15-10-12/h1-11H/b14-9+ |
| InChIKey | XFKWRTCWFKLHLQ-NTEUORMPSA-N |
| Molecular Weight | 209.248 g/mol |
| SMILES | C1(=CC=CC=C1)\C(=C\C1=CC=CN=C1)C=O |