![(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester](/api/spectrum/5yDc47Oijbn/structure.png?h=300&w=458 "(2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester")
| SpectraBase Compound ID | Gg0Ew1lP3F0 |
|---|---|
| InChI | InChI=1S/C11H19NO4/c1-15-11(14)10-8-4-2-6-12(8)16-9(10)5-3-7-13/h8-10,13H,2-7H2,1H3/t8-,9-,10-/m0/s1 |
| InChIKey | JJOAUIJSYVYARM-GUBZILKMSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C11H19NO4 |
| Exact Mass | 229.131408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5yDc47Oijbn |
|---|---|
| Name | (2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H19NO4 |
| InChI | InChI=1S/C11H19NO4/c1-15-11(14)10-8-4-2-6-12(8)16-9(10)5-3-7-13/h8-10,13H,2-7H2,1H3/t8-,9-,10-/m0/s1 |
| InChIKey | JJOAUIJSYVYARM-GUBZILKMSA-N |
| Molecular Weight | 229.276 g/mol |
| SMILES | OCCC[C@@]1(ON2[C@]([C@@]1(C(=O)OC)[H])(CCC2)[H])[H] |
| SPLASH | splash10-0079-9000000000-b5c5767d103dffe56e0b |
| Source of Spectrum | K1-2004-4231-70 |
| Synonyms | (2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrol[1,2-b]isoxazole-3-carboxylic acid methyl ester Methyl (2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3-carboxylate Methyl (2S,3S,3aS)-2-(3-hydroxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate Methyl (2S,3S,3aS)-2-(3-oxidanylpropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate |
| Wiley ID | 1561661 |