![Ethyl 2-[(R)-5-Hydroxymethylpyrrolidin-2-ylidene]-2(S)-2-[benzoyloxy-3-methylbutanoylamino]acetate](/api/spectrum/DGlOtk7toJF/structure.png?h=300&w=458 "Ethyl 2-[(R)-5-Hydroxymethylpyrrolidin-2-ylidene]-2(S)-2-[benzoyloxy-3-methylbutanoylamino]acetate")
| SpectraBase Compound ID | KWjwx5xUWlM |
|---|---|
| InChI | InChI=1S/C21H28N2O6/c1-4-28-21(27)17(16-11-10-15(12-24)22-16)23-19(25)18(13(2)3)29-20(26)14-8-6-5-7-9-14/h5-9,13,15,18,22,24H,4,10-12H2,1-3H3,(H,23,25)/b17-16+/t15-,18+/m1/s1 |
| InChIKey | SKAKIHUGCWKEQI-XEPXCNBESA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C21H28N2O6 |
| Exact Mass | 404.194737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DGlOtk7toJF |
|---|---|
| Name | Ethyl 2-[(R)-5-Hydroxymethylpyrrolidin-2-ylidene]-2(S)-2-[benzoyloxy-3-methylbutanoylamino]acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28N2O6 |
| InChI | InChI=1S/C21H28N2O6/c1-4-28-21(27)17(16-11-10-15(12-24)22-16)23-19(25)18(13(2)3)29-20(26)14-8-6-5-7-9-14/h5-9,13,15,18,22,24H,4,10-12H2,1-3H3,(H,23,25)/b17-16+/t15-,18+/m1/s1 |
| InChIKey | SKAKIHUGCWKEQI-XEPXCNBESA-N |
| Molecular Weight | 404.463 g/mol |
| SMILES | N1[C@@](CO)(CC\C1=C\(NC([C@@](OC(=O)c1ccccc1)(C(C)C)[H])=O)C(=O)OCC)[H] |
| SPLASH | splash10-0a4i-0900000000-6bf1ef1708910aed1ec9 |
| Source of Spectrum | F-59-3095-22a |
| Wiley ID | 1677924 |