| SpectraBase Compound ID | AoNulvyWjIY |
|---|---|
| InChI | InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3 |
| InChIKey | BJVLLTZZYAWHGW-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K0iTCV234Jw |
|---|---|
| Name | 5-(4-Methylphenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.068413913 u |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3 |
| InChIKey | BJVLLTZZYAWHGW-UHFFFAOYSA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C=1(ON=CC1)C1=CC=C(C=C1)C |