![(2R,3R,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester](/api/spectrum/AX0IAjJZB6Z/structure.png?h=300&w=458 "(2R,3R,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester")
| SpectraBase Compound ID | DrZrN3gE16C |
|---|---|
| InChI | InChI=1S/C11H17NO4/c1-7(13)9-8-5-3-4-6-12(8)16-10(9)11(14)15-2/h8-10H,3-6H2,1-2H3/t8-,9+,10+/m1/s1 |
| InChIKey | OTNFZCVVMPFRCD-UTLUCORTSA-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 | AX0IAjJZB6Z |
|---|---|
| Name | (2R,3R,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H17NO4 |
| InChI | InChI=1S/C11H17NO4/c1-7(13)9-8-5-3-4-6-12(8)16-10(9)11(14)15-2/h8-10H,3-6H2,1-2H3/t8-,9+,10+/m1/s1 |
| InChIKey | OTNFZCVVMPFRCD-UTLUCORTSA-N |
| Molecular Weight | 227.260 g/mol |
| SMILES | [C@@]1([C@]([C@]2(CCCCN2O1)[H])(C(=O)C)[H])(C(=O)OC)[H] |
| SPLASH | splash10-0005-9100000000-ecb52ded0a97110ab0f4 |
| Source of Spectrum | F-54-10867-14 |
| Synonyms | Methyl (2R,3R,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate Methyl (2R,3R,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate Methyl (2R,3R,3aR)-3-ethanoyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate Methyl (2S,3S,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate Methyl (2S,3S,3aR)-3-acetyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate Methyl (2S,3S,3aR)-3-ethanoyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate |
| Wiley ID | 808592 |