| SpectraBase Compound ID | a8udbtoauS |
|---|---|
| InChI | InChI=1S/C17H12N4O/c1-3-7-12(8-4-1)14-11-15(22-20-14)17-16(18-21-19-17)13-9-5-2-6-10-13/h1-11H,(H,18,19,21) |
| InChIKey | DVUNYTDZKTWSNQ-UHFFFAOYSA-N |
| Mol Weight | 288.31 g/mol |
| Molecular Formula | C17H12N4O |
| Exact Mass | 288.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUx3DxAD9ta |
|---|---|
| Name | 1H-1,2,3-Triazole, 4-phenyl-5-(3-phenyl-5-isoxazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.101111021 u |
| Formula | C17H12N4O |
| InChI | InChI=1S/C17H12N4O/c1-3-7-12(8-4-1)14-11-15(22-20-14)17-16(18-21-19-17)13-9-5-2-6-10-13/h1-11H,(H,18,19,21) |
| InChIKey | DVUNYTDZKTWSNQ-UHFFFAOYSA-N |
| SMILES | C=1(NN=NC1C1=CC=CC=C1)C1=CC(=NO1)C1=CC=CC=C1 |