| SpectraBase Compound ID | 2GwnYwfuyKf |
|---|---|
| InChI | InChI=1S/C9H10N2O2/c12-6-8-4-9(11-13-8)7-2-1-3-10-5-7/h1-3,5,8,12H,4,6H2 |
| InChIKey | NEIUZRTXSGJRPA-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C9H10N2O2 |
| Exact Mass | 178.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qynr2sUm8s |
|---|---|
| Name | 3-(3-Pyridyl)-5-hydroxymethylisoxazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.074227568 u |
| Formula | C9H10N2O2 |
| InChI | InChI=1S/C9H10N2O2/c12-6-8-4-9(11-13-8)7-2-1-3-10-5-7/h1-3,5,8,12H,4,6H2 |
| InChIKey | NEIUZRTXSGJRPA-UHFFFAOYSA-N |
| Molecular Weight | 178.191 g/mol |
| SMILES | C1(=CC=CN=C1)C=1CC(ON1)CO |