| SpectraBase Compound ID | Lu2oMSX2a2X |
|---|---|
| InChI | InChI=1S/C21H19N3/c1-2-3-4-11-16-19-22-20(17-12-7-5-8-13-17)21(24-23-19)18-14-9-6-10-15-18/h1,5-10,12-15H,3-4,11,16H2 |
| InChIKey | DNMBWYJFUKSHGR-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C21H19N3 |
| Exact Mass | 313.157898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Md88otpcyH |
|---|---|
| Name | 5,6-Diphenyl-3-(5-hexynyl)-1,2,4-triazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.157897624 u |
| Formula | C21H19N3 |
| InChI | InChI=1S/C21H19N3/c1-2-3-4-11-16-19-22-20(17-12-7-5-8-13-17)21(24-23-19)18-14-9-6-10-15-18/h1,5-10,12-15H,3-4,11,16H2 |
| InChIKey | DNMBWYJFUKSHGR-UHFFFAOYSA-N |
| Molecular Weight | 313.404 g/mol |
| SMILES | C=1(N=NC(=NC1C=1C=CC=CC1)CCCCC#C)C1=CC=CC=C1 |