| SpectraBase Compound ID | 48ltNARzBxv |
|---|---|
| InChI | InChI=1S/C16H11N3O2/c1-20-14-8-6-13(7-9-14)16-19-18-15(21-16)12-4-2-11(10-17)3-5-12/h2-9H,1H3 |
| InChIKey | FYISDNZYELFLRC-UHFFFAOYSA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C16H11N3O2 |
| Exact Mass | 277.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71HWJXfQhAp |
|---|---|
| Name | 2-(4-Cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.085126604 u |
| Formula | C16H11N3O2 |
| InChI | InChI=1S/C16H11N3O2/c1-20-14-8-6-13(7-9-14)16-19-18-15(21-16)12-4-2-11(10-17)3-5-12/h2-9H,1H3 |
| InChIKey | FYISDNZYELFLRC-UHFFFAOYSA-N |
| Molecular Weight | 277.283 g/mol |
| SMILES | C1(=NN=C(O1)C1=CC=C(OC)C=C1)C1=CC=C(C#N)C=C1 |