![(2R,3R,3aR)-3-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester](/api/spectrum/DdmoM7ioka2/structure.png?h=300&w=458 "(2R,3R,3aR)-3-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester")
| SpectraBase Compound ID | 9ngSdIYn2X5 |
|---|---|
| InChI | InChI=1S/C12H19NO4/c1-8(14)10-9-6-4-5-7-13(9)17-12(10,2)11(15)16-3/h9-10H,4-7H2,1-3H3/t9-,10-,12-/m1/s1 |
| InChIKey | AWHSWLMKFQMMQQ-CKYFFXLPSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C12H19NO4 |
| Exact Mass | 241.131408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DdmoM7ioka2 |
|---|---|
| Name | (2R,3R,3aR)-3-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester |
| Alternate Name(s) | Methyl (2R,3R,3aR)-3-acetyl-2-methyl-3,3a,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate Methyl (2R,3R,3aR)-3-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-2-carboxylate Methyl (2R,3R,3aR)-3-ethanoyl-2-methyl-3,3a,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H19NO4 |
| InChI | InChI=1S/C12H19NO4/c1-8(14)10-9-6-4-5-7-13(9)17-12(10,2)11(15)16-3/h9-10H,4-7H2,1-3H3/t9-,10-,12-/m1/s1 |
| InChIKey | AWHSWLMKFQMMQQ-CKYFFXLPSA-N |
| Molecular Weight | 241.287 g/mol |
| SMILES | [C@]1([C@@]([C@]2(CCCCN2O1)[H])(C(=O)C)[H])(C(=O)OC)C |
| SPLASH | splash10-0006-9340000000-84b2b87d27c390a73737 |
| Source of Spectrum | F-54-10871-20 |
| Wiley ID | 808578 |