| SpectraBase Compound ID | IxtJVhyednT |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-3-14-12-9-10(2)13(15-12)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12-/m0/s1 |
| InChIKey | YCHVGXLZQJRZPJ-JQWIXIFHSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98IPZXJGSTB |
|---|---|
| Name | (3S,5S)-5-Ethoxy-3-methyl-2-phenyl-isoxazolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-3-14-12-9-10(2)13(15-12)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12-/m0/s1 |
| InChIKey | YCHVGXLZQJRZPJ-JQWIXIFHSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | [C@]1(ON([C@](C1)(C)[H])C=1C=CC=CC1)(OCC)[H] |