| SpectraBase Compound ID | HvdqoWiCG8T |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3 |
| InChIKey | ZHHOTMLQQIDFAL-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0h5fsdu1Kx |
|---|---|
| Name | Isoxazole, 3-ethyl-4,5-dihydro-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3 |
| InChIKey | ZHHOTMLQQIDFAL-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C1=CC=CC(=C1)C1ON=C(CC)C1 |