![(2R,3R,3aR)-2-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester](/api/spectrum/CfJ9eqraD7r/structure.png?h=300&w=458 "(2R,3R,3aR)-2-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester")
| SpectraBase Compound ID | CAWtSnRKkza |
|---|---|
| InChI | InChI=1S/C12H19NO4/c1-8(14)12(2)10(11(15)16-3)9-6-4-5-7-13(9)17-12/h9-10H,4-7H2,1-3H3/t9-,10+,12+/m1/s1 |
| InChIKey | JBQAEGFLWLNVAB-SCVCMEIPSA-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 | CfJ9eqraD7r |
|---|---|
| Name | (2R,3R,3aR)-2-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-3-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H19NO4 |
| InChI | InChI=1S/C12H19NO4/c1-8(14)12(2)10(11(15)16-3)9-6-4-5-7-13(9)17-12/h9-10H,4-7H2,1-3H3/t9-,10+,12+/m1/s1 |
| InChIKey | JBQAEGFLWLNVAB-SCVCMEIPSA-N |
| Molecular Weight | 241.287 g/mol |
| SMILES | [C@]1([C@@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])(C(=O)C)C |
| SPLASH | splash10-0006-9540000000-2b76ef5d9dd49910011a |
| Source of Spectrum | F-54-10872-21 |
| Synonyms | Methyl (2R,3R,3aR)-2-acetyl-2-methyl-3,3a,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-acetyl-2-methyl-3,3a,4,5,6,7-hexahydroisoxazolo[2,3-a]pyridine-3-carboxylate Methyl (2R,3R,3aR)-2-ethanoyl-2-methyl-3,3a,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridine-3-carboxylate |
| Wiley ID | 808577 |