| SpectraBase Compound ID | BneDJGgw3XI |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)13-11-9/h2-5H,6H2,1H3 |
| InChIKey | IADHZJJQULYQGB-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UApNQwuWXH |
|---|---|
| Name | 4,5-Dihydro-5-oxo-3-(p-tolyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)13-11-9/h2-5H,6H2,1H3 |
| InChIKey | IADHZJJQULYQGB-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=C(C2=NOC(C2)=O)C=CC(=C1)C |