| SpectraBase Compound ID | Hqj2c7s2ikz |
|---|---|
| InChI | InChI=1S/C17H13N3O/c1-21-17-11-9-16(10-12-17)20-13-15(18-19-20)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3 |
| InChIKey | JDTMOYLXQIODIW-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C17H13N3O |
| Exact Mass | 275.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2x73KBuCeQE |
|---|---|
| Name | 4-(Phenylethynyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.105862050 u |
| Formula | C17H13N3O |
| InChI | InChI=1S/C17H13N3O/c1-21-17-11-9-16(10-12-17)20-13-15(18-19-20)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3 |
| InChIKey | JDTMOYLXQIODIW-UHFFFAOYSA-N |
| SMILES | C=1N(N=NC1C#CC=1C=CC=CC1)C=1C=CC(=CC1)OC |