| SpectraBase Compound ID | 2U2OKvuoPKU |
|---|---|
| InChI | InChI=1S/C15H13N3O/c1-11-7-9-12(10-8-11)14-17-18-15(19-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18) |
| InChIKey | KDFNGFSYMPCHFO-UHFFFAOYSA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C15H13N3O |
| Exact Mass | 251.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eEVUjQ2CuZ |
|---|---|
| Name | 2-(4-Methylphenyl)-5-(phenylamino)-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.105862050 u |
| Formula | C15H13N3O |
| InChI | InChI=1S/C15H13N3O/c1-11-7-9-12(10-8-11)14-17-18-15(19-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18) |
| InChIKey | KDFNGFSYMPCHFO-UHFFFAOYSA-N |
| Molecular Weight | 251.289 g/mol |
| SMILES | C1(=NN=C(O1)NC1=CC=CC=C1)C1=CC=C(C)C=C1 |