![Methyl (2RS,3SR,3aRS,1'SR)-2-[(1RS)-1-hydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate](/api/spectrum/LpVejn9OAES/structure.png?h=300&w=458 "Methyl (2RS,3SR,3aRS,1'SR)-2-[(1RS)-1-hydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate")
| SpectraBase Compound ID | AXytcBrau0S |
|---|---|
| InChI | InChI=1S/C11H19NO4/c1-7(13)9-8-5-3-4-6-12(8)16-10(9)11(14)15-2/h7-10,13H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1 |
| InChIKey | PWIDAQIAWFFLDY-SGIHWFKDSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C11H19NO4 |
| Exact Mass | 229.131408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LpVejn9OAES |
|---|---|
| Name | Methyl (2RS,3SR,3aRS,1'SR)-2-[(1RS)-1-hydroxyethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H19NO4 |
| InChI | InChI=1S/C11H19NO4/c1-7(13)9-8-5-3-4-6-12(8)16-10(9)11(14)15-2/h7-10,13H,3-6H2,1-2H3/t7-,8+,9+,10+/m0/s1 |
| InChIKey | PWIDAQIAWFFLDY-SGIHWFKDSA-N |
| Molecular Weight | 229.276 g/mol |
| SMILES | O[C@]([C@]1([C@@](ON2CCCC[C@]12[H])(C(=O)OC)[H])[H])(C)[H] |
| SPLASH | splash10-0002-9010000000-e68a5f77b6c0d888c3c4 |
| Source of Spectrum | F-54-10875-23 |
| Synonyms | (2R,3S,3aR)-3-((S)-1-Hydroxy-ethyl)-hexahydro-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester methyl (2R,3S,3aR)-3-[(1S)-1-hydroxyethyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate methyl (2R,3S,3aR)-3-[(1S)-1-hydroxyethyl]-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate methyl (2R,3S,3aR)-3-[(1S)-1-oxidanylethyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate |
| Wiley ID | 808845 |