| SpectraBase Compound ID | ChL98jSiVBU |
|---|---|
| InChI | InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey | MCOYCMSBSPWRPU-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 | Fb7oZQI9n75 |
|---|---|
| Name | Isoxazole, 4-methyl-3,5-diphenyl- |
| 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/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey | MCOYCMSBSPWRPU-UHFFFAOYSA-N |
| Molecular Weight | 235.286 g/mol |
| SMILES | CC1=C(ON=C1C=1C=CC=CC1)C=1C=CC=CC1 |