![Methyl (2RS,3RS,3aRS)-2-acetylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate](/api/spectrum/2nqrDukpEW/structure.png?h=300&w=458 "Methyl (2RS,3RS,3aRS)-2-acetylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate")
| SpectraBase Compound ID | 1jHHyirnxW6 |
|---|---|
| InChI | InChI=1S/C11H17NO4/c1-7(13)10-9(11(14)15-2)8-5-3-4-6-12(8)16-10/h8-10H,3-6H2,1-2H3/t8-,9-,10+/m1/s1 |
| InChIKey | HGCGTRKNBOMRCB-BBBLOLIVSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C11H17NO4 |
| Exact Mass | 227.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2nqrDukpEW |
|---|---|
| Name | Methyl (2RS,3RS,3aRS)-2-acetylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H17NO4 |
| InChI | InChI=1S/C11H17NO4/c1-7(13)10-9(11(14)15-2)8-5-3-4-6-12(8)16-10/h8-10H,3-6H2,1-2H3/t8-,9-,10+/m1/s1 |
| InChIKey | HGCGTRKNBOMRCB-BBBLOLIVSA-N |
| Molecular Weight | 227.260 g/mol |
| SMILES | [C@]1([C@@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])(C(=O)C)[H] |
| SPLASH | splash10-0597-9200000000-349a9fc7af07aad45b7f |
| Source of Spectrum | F-54-10867-14 |
| Synonyms | (2R,3R,3aR)-2-Acetyl-hexahydro-isoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester Methyl 2-acetylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-acetyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-ethanoyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate |
| Wiley ID | 808595 |