| SpectraBase Compound ID | Fl65P78wCF4 |
|---|---|
| InChI | InChI=1S/C13H11N3O/c17-13-6-2-1-5-12(13)10-16-15-9-11-4-3-7-14-8-11/h1-10,17H/b15-9+,16-10+ |
| InChIKey | XHGYDPORIMMMED-KAVGSWPWSA-N |
| Mol Weight | 225.25 g/mol |
| Molecular Formula | C13H11N3O |
| Exact Mass | 225.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMUkXadTZ0K |
|---|---|
| Name | Nicotinaldehyde, azine with salicylaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.090211985 u |
| Formula | C13H11N3O |
| InChI | InChI=1S/C13H11N3O/c17-13-6-2-1-5-12(13)10-16-15-9-11-4-3-7-14-8-11/h1-10,17H/b15-9+,16-10+ |
| InChIKey | XHGYDPORIMMMED-KAVGSWPWSA-N |
| Molecular Weight | 225.251 g/mol |
| SMILES | OC1=CC=CC=C1\C=N\N=C\C1=CN=CC=C1 |