| SpectraBase Compound ID | 4CVSvs9zH6 |
|---|---|
| InChI | InChI=1S/C16H12N4O/c1-21-14-9-7-12(8-10-14)16-18-15(11-17)20(19-16)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | PHKLCFVMMXYUSX-UHFFFAOYSA-N |
| Mol Weight | 276.3 g/mol |
| Molecular Formula | C16H12N4O |
| Exact Mass | 276.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ezd2U9X4B6m |
|---|---|
| Name | 1-Phenyl-3-(p-methoxyphenyl)-5-cyano-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.101111021 u |
| Formula | C16H12N4O |
| InChI | InChI=1S/C16H12N4O/c1-21-14-9-7-12(8-10-14)16-18-15(11-17)20(19-16)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | PHKLCFVMMXYUSX-UHFFFAOYSA-N |
| SMILES | C=1(N(N=C(N1)C1=CC=C(C=C1)OC)C=1C=CC=CC1)C#N |