![(2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]isoxazole-2-carboxylic acid methyl ester](/api/spectrum/1XFinw0xGEH/structure.png?h=300&w=458 "(2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]isoxazole-2-carboxylic acid methyl ester")
| SpectraBase Compound ID | GrY6HizfjVf |
|---|---|
| InChI | InChI=1S/C11H17NO4/c1-7(13)9-8-5-4-6-12(8)16-11(9,2)10(14)15-3/h8-9H,4-6H2,1-3H3/t8-,9-,11-/m1/s1 |
| InChIKey | WVFSPEPGYAECOL-FXPVBKGRSA-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 | 1XFinw0xGEH |
|---|---|
| Name | (2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]isoxazole-2-carboxylic acid methyl ester |
| Alternate Name(s) | (2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrol[1,2-b]isoxazole-2-carboxylic acid methyl ester Methyl (2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]isoxazole-2-carboxylate Methyl (2R,3R,3aR)-3-acetyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2-carboxylate Methyl (2R,3R,3aR)-3-ethanoyl-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H17NO4 |
| InChI | InChI=1S/C11H17NO4/c1-7(13)9-8-5-4-6-12(8)16-11(9,2)10(14)15-3/h8-9H,4-6H2,1-3H3/t8-,9-,11-/m1/s1 |
| InChIKey | WVFSPEPGYAECOL-FXPVBKGRSA-N |
| Molecular Weight | 227.260 g/mol |
| SMILES | [C@]1([C@@]([C@]2(CCCN2O1)[H])(C(=O)C)[H])(C(=O)OC)C |
| SPLASH | splash10-004l-6190000000-7effd99fbcfa29164659 |
| Source of Spectrum | F-54-10871-18 |
| Wiley ID | 808580 |