![(2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3,6-dicarboxylic acid dimethyl ester](/api/spectrum/FCmf5CzBY53/structure.png?h=300&w=458 "(2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3,6-dicarboxylic acid dimethyl ester")
| SpectraBase Compound ID | KnnJyK68Yf6 |
|---|---|
| InChI | InChI=1S/C20H25NO7/c1-25-19(23)15-11-10-14-17(20(24)26-2)16(28-21(14)15)9-6-12-27-18(22)13-7-4-3-5-8-13/h3-5,7-8,14-17H,6,9-12H2,1-2H3/t14-,15-,16-,17+/m1/s1 |
| InChIKey | WXRWLNCAHYCVTP-VQHPVUNQSA-N |
| Mol Weight | 391.42 g/mol |
| Molecular Formula | C20H25NO7 |
| Exact Mass | 391.163102 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FCmf5CzBY53 |
|---|---|
| Name | (2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3,6-dicarboxylic acid dimethyl ester |
| Alternate Name(s) | (2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrol[1,2-b]isoxazole-3,6-dicarboxylic acid dimethyl ester Dimethyl (2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole-3,6-dicarboxylate Dimethyl (2R,3S,3aR,6R)-2-(3-benzoyloxypropyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3,6-dicarboxylate Dimethyl (2R,3S,3aR,6R)-2-[3-(phenylcarbonyloxy)propyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3,6-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25NO7 |
| InChI | InChI=1S/C20H25NO7/c1-25-19(23)15-11-10-14-17(20(24)26-2)16(28-21(14)15)9-6-12-27-18(22)13-7-4-3-5-8-13/h3-5,7-8,14-17H,6,9-12H2,1-2H3/t14-,15-,16-,17+/m1/s1 |
| InChIKey | WXRWLNCAHYCVTP-VQHPVUNQSA-N |
| Molecular Weight | 391.420 g/mol |
| SMILES | [C@]12(N(O[C@@]([C@]2(C(=O)OC)[H])(CCCOC(=O)c2ccccc2)[H])[C@](CC1)(C(=O)OC)[H])[H] |
| SPLASH | splash10-0a4i-1911000000-0f4a8bc6492f7d02edf5 |
| Source of Spectrum | F-53-16815-24 |
| Wiley ID | 804795 |