![(3R,6R,7aS)-5-keto-3-phenyl-6-(phenylseleno)-1,3,7,7a-tetrahydropyrrolo[1,2-c]oxazole-6-carboxylic acid methyl ester](/api/spectrum/1yTlG2vIIiI/structure.png?h=300&w=458 "(3R,6R,7aS)-5-keto-3-phenyl-6-(phenylseleno)-1,3,7,7a-tetrahydropyrrolo[1,2-c]oxazole-6-carboxylic acid methyl ester")
| SpectraBase Compound ID | 185bprSIh2L |
|---|---|
| InChI | InChI=1S/C20H19NO4Se/c1-24-19(23)20(26-16-10-6-3-7-11-16)12-15-13-25-17(21(15)18(20)22)14-8-4-2-5-9-14/h2-11,15,17H,12-13H2,1H3/t15-,17+,20+/m0/s1 |
| InChIKey | CSQQAEMMDITSNH-XAUMDUMWSA-N |
| Mol Weight | 416.35 g/mol |
| Molecular Formula | C20H19NO4Se |
| Exact Mass | 417.04793 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1yTlG2vIIiI |
|---|---|
| Name | (3R,6R,7aS)-5-keto-3-phenyl-6-(phenylseleno)-1,3,7,7a-tetrahydropyrrolo[1,2-c]oxazole-6-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H19NO4Se |
| InChI | InChI=1S/C20H19NO4Se/c1-24-19(23)20(26-16-10-6-3-7-11-16)12-15-13-25-17(21(15)18(20)22)14-8-4-2-5-9-14/h2-11,15,17H,12-13H2,1H3/t15-,17+,20+/m0/s1 |
| InChIKey | CSQQAEMMDITSNH-XAUMDUMWSA-N |
| Molecular Weight | 416.347 g/mol |
| SMILES | [C@@]1(C(N2[C@@](c3ccccc3)(OC[C@@]2(C1)[H])[H])=O)(C(=O)OC)[Se]c1ccccc1 |
| SPLASH | splash10-0bu0-5955300000-dbe7f915495a065ee2f1 |
| Source of Spectrum | U1-2002-3547-4 |
| Synonyms | (3R,6R,7aS)-5-oxo-3-phenyl-6-(phenylseleno)-1,3,7,7a-tetrahydropyrrolo[1,2-c]oxazole-6-carboxylic acid methyl ester Methyl (3R,6R,7aS)-5-oxidanylidene-3-phenyl-6-phenylselanyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-6-carboxylate Methyl (3R,6R,7aS)-5-oxo-3-phenyl-6-phenylselanyl-1,3,7,7a-tetrahydropyrrolo[1,2-c]oxazole-6-carboxylate Methyl (3R,6R,7aS)-5-oxo-3-phenyl-6-phenylselanyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-6-carboxylate |
| Wiley ID | 1523352 |