| SpectraBase Compound ID | 1sVeaXqcKnP |
|---|---|
| InChI | InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+ |
| InChIKey | OUAMYDYQMNKPLV-XHQRYOPUSA-N |
| Mol Weight | 286.34 g/mol |
| Molecular Formula | C18H14N4 |
| Exact Mass | 286.121846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7XNL28UIpwO |
|---|---|
| Name | Indole-3-carboxaldehyde, azine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.121846467 u |
| Formula | C18H14N4 |
| InChI | InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+ |
| InChIKey | OUAMYDYQMNKPLV-XHQRYOPUSA-N |
| Molecular Weight | 286.338 g/mol |
| SMILES | N1C=2C=CC=CC2C(\C=N\N=C\C=2C=3C=CC=CC3NC2)=C1 |