| SpectraBase Compound ID | 9S7C2kKdHxo |
|---|---|
| InChI | InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H |
| InChIKey | CBMYFVSIIYILRH-UHFFFAOYSA-N |
| Mol Weight | 312.34 g/mol |
| Molecular Formula | C18H12N6 |
| Exact Mass | 312.112344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hQBZzNrPfC |
|---|---|
| Name | Tris(pyridin-4-yl)-1,3,5-triazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112344410 u |
| Formula | C18H12N6 |
| InChI | InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H |
| InChIKey | CBMYFVSIIYILRH-UHFFFAOYSA-N |
| Molecular Weight | 312.336 g/mol |
| SMILES | C1(=NC(=NC(=N1)C1=CC=NC=C1)C1=CC=NC=C1)C1=CC=NC=C1 |