| SpectraBase Compound ID | 42X65hInQ3N |
|---|---|
| InChI | InChI=1S/C17H20ClNO3Se/c1-2-22-17(21)13-14(18)16(20)19-10-6-9-12(19)15(13)23-11-7-4-3-5-8-11/h3-5,7-8,12-15H,2,6,9-10H2,1H3/t12-,13-,14-,15-/m0/s1 |
| InChIKey | DALFVAUKQYRFNP-AJNGGQMLSA-N |
| Mol Weight | 400.78 g/mol |
| Molecular Formula | C17H20ClNO3Se |
| Exact Mass | 401.029693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AmOO9PRXCwt |
|---|---|
| Name | (6S,7S,8R,8aS)-6-Chloro-7-ethoxycarbonyl-8-phenylselenyl-5(8H)-indolizidinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20ClNO3Se |
| InChI | InChI=1S/C17H20ClNO3Se/c1-2-22-17(21)13-14(18)16(20)19-10-6-9-12(19)15(13)23-11-7-4-3-5-8-11/h3-5,7-8,12-15H,2,6,9-10H2,1H3/t12-,13-,14-,15-/m0/s1 |
| InChIKey | DALFVAUKQYRFNP-AJNGGQMLSA-N |
| Molecular Weight | 400.776 g/mol |
| SMILES | C1(N2[C@](CCC2)([H])[C@@]([C@]([C@@]1(Cl)[H])(C(=O)OCC)[H])([Se]c1ccccc1)[H])=O |
| SPLASH | splash10-006x-1890100000-bd0fa15526b922e49f43 |
| Source of Spectrum | QE-2-899-22 |
| Synonyms | Ethyl (6S,7S,8R,8aS)-6-chloro-5-oxo-8-(phenylselanyl)octahydro-7-indolizinecarboxylate (6S,7S,8R,8aS)-6-chloro-5-oxo-8-(phenylseleno)-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid ethyl ester Ethyl (6S,7S,8R,8aS)-6-chloro-5-oxo-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylate Ethyl (6S,7S,8R,8aS)-6-chloranyl-5-oxidanylidene-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylate |
| Wiley ID | 842607 |