| SpectraBase Compound ID | 73SeGEF60Ie |
|---|---|
| InChI | InChI=1S/C20H22BrNO4/c21-15-6-7-18-14(10-15)11-16(20(24)26-18)19(23)25-12-13-4-3-9-22-8-2-1-5-17(13)22/h6-7,10-11,13,17H,1-5,8-9,12H2/t13-,17+/m0/s1 |
| InChIKey | AITKOWBLVUPZPO-SUMWQHHRSA-N |
| Mol Weight | 420.3 g/mol |
| Molecular Formula | C20H22BrNO4 |
| Exact Mass | 419.073221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jZPBruYSVG |
|---|---|
| Name | (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22BrNO4 |
| InChI | InChI=1S/C20H22BrNO4/c21-15-6-7-18-14(10-15)11-16(20(24)26-18)19(23)25-12-13-4-3-9-22-8-2-1-5-17(13)22/h6-7,10-11,13,17H,1-5,8-9,12H2/t13-,17+/m0/s1 |
| InChIKey | AITKOWBLVUPZPO-SUMWQHHRSA-N |
| Molecular Weight | 420.303 g/mol |
| SMILES | C=1(C(Oc2c(C1)cc(cc2)Br)=O)C(OC[C@]1([C@@]2(N(CCCC2)CCC1)[H])[H])=O |
| SPLASH | splash10-0udi-8900000000-6475b8ace2641010ecf1 |
| Synonyms | [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 6-bromo-2-oxo-chromene-3-carboxylate 6-Bromo-2-oxo-1-benzopyran-3-carboxylic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 6-bromo-2-oxochromene-3-carboxylate |
| Wiley ID | 1438990 |