| SpectraBase Compound ID | 33EzMJowII3 |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-12-7-5-6-10-14(12)16-11-15(17-18-16)13-8-3-2-4-9-13/h2-11H,1H3 |
| InChIKey | QGEZIIOHQKURLU-UHFFFAOYSA-N |
| Mol Weight | 235.29 g/mol |
| Molecular Formula | C16H13NO |
| Exact Mass | 235.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNUEThDgmDr |
|---|---|
| Name | Isoxazole, 5-(2-methylphenyl)-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.099714042 u |
| Formula | C16H13NO |
| InChI | InChI=1S/C16H13NO/c1-12-7-5-6-10-14(12)16-11-15(17-18-16)13-8-3-2-4-9-13/h2-11H,1H3 |
| InChIKey | QGEZIIOHQKURLU-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | C1(=CC(C=2C=CC=CC2)=NO1)C=1C(C)=CC=CC1 |