![ethyl (5aR,8S,9R,9aS,9bS)-7-bromo-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrolo[1,2-b]isoindole-9-carboxylate](/api/spectrum/4wnTAIYyh5J/structure.png?h=300&w=458 "ethyl (5aR,8S,9R,9aS,9bS)-7-bromo-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrolo[1,2-b]isoindole-9-carboxylate")
| SpectraBase Compound ID | JbaomzW1mrf |
|---|---|
| InChI | InChI=1S/C15H22BrNO2/c1-3-19-15(18)13-9(2)11(16)7-10-8-17-6-4-5-12(17)14(10)13/h7,9-10,12-14H,3-6,8H2,1-2H3/t9-,10-,12+,13+,14-/m1/s1 |
| InChIKey | BGHXQWBPRBCFGK-SJVBDLOYSA-N |
| Mol Weight | 328.25 g/mol |
| Molecular Formula | C15H22BrNO2 |
| Exact Mass | 327.083392 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4wnTAIYyh5J |
|---|---|
| Name | (5aR,8S,9R,9aS,9bS)-7-bromo-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrolo[2,1-a]isoindole-9-carboxylic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22BrNO2 |
| InChI | InChI=1S/C15H22BrNO2/c1-3-19-15(18)13-9(2)11(16)7-10-8-17-6-4-5-12(17)14(10)13/h7,9-10,12-14H,3-6,8H2,1-2H3/t9-,10-,12+,13+,14-/m1/s1 |
| InChIKey | BGHXQWBPRBCFGK-SJVBDLOYSA-N |
| Molecular Weight | 328.250 g/mol |
| SMILES | [C@@]12([C@]([C@](C)(C(=C[C@@]2(CN2[C@]1(CCC2)[H])[H])Br)[H])(C(=O)OCC)[H])[H] |
| SPLASH | splash10-001i-9031000000-6c498dc2c47df26cfd0e |
| Source of Spectrum | H-80-1492-18 |
| Synonyms | (5aR,8S,9R,9aS,9bS)-7-bromo-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrol[2,1-a]isoindole-9-carboxylic acid ethyl ester Ethyl (5aR,8S,9R,9aS,9bS)-7-bromanyl-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrolo[2,1-a]isoindole-9-carboxylate Ethyl (5aR,8S,9R,9aS,9bS)-7-bromo-8-methyl-2,3,5,5a,8,9,9a,9b-octahydro-1H-pyrrolo[2,1-a]isoindole-9-carboxylate |
| Wiley ID | 1325408 |