| SpectraBase Compound ID | AXPblOhe9LU |
|---|---|
| InChI | InChI=1S/C13H10N2O/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-8H,1H3 |
| InChIKey | DUVASGJCZLEKKX-UHFFFAOYSA-N |
| Mol Weight | 210.24 g/mol |
| Molecular Formula | C13H10N2O |
| Exact Mass | 210.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFU45BZgkHl |
|---|---|
| Name | 5-Methyl-2-(pyridin-4-yl)-1,3-benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.079312949 u |
| Formula | C13H10N2O |
| InChI | InChI=1S/C13H10N2O/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-8H,1H3 |
| InChIKey | DUVASGJCZLEKKX-UHFFFAOYSA-N |
| Molecular Weight | 210.236 g/mol |
| SMILES | C1=CC=2OC(=NC2C=C1C)C1=CC=NC=C1 |