| SpectraBase Compound ID | 3L61fvMwK7Q |
|---|---|
| InChI | InChI=1S/C17H13N3/c1-3-14-8-7-11-16(12-14)20-13(2)17(18-19-20)15-9-5-4-6-10-15/h1,4-12H,2H3 |
| InChIKey | QZHNXSHDQZJYIA-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C17H13N3 |
| Exact Mass | 259.110947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ITfzfSarHq |
|---|---|
| Name | 1-(m-Ethynylphenyl)-5-methyl-4-phenyl-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.110947431 u |
| Formula | C17H13N3 |
| InChI | InChI=1S/C17H13N3/c1-3-14-8-7-11-16(12-14)20-13(2)17(18-19-20)15-9-5-4-6-10-15/h1,4-12H,2H3 |
| InChIKey | QZHNXSHDQZJYIA-UHFFFAOYSA-N |
| Molecular Weight | 259.312 g/mol |
| SMILES | C=1C(=CC=CC1C#C)N1C(=C(N=N1)C=1C=CC=CC1)C |