| SpectraBase Spectrum ID |
5HZTGLaay4A |
| Name |
9-Acetoxy-2-bromo-6'-methoxyruban-3-one |
| Alternate Name(s) |
(S)-(6-bromo-5-oxo-1-azabicyclo[2.2.2]oct-2-yl)(6-methoxy-4-quinolinyl)methyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21BrN2O4 |
| InChI |
InChI=1S/C20H21BrN2O4/c1-11(24)27-19(17-9-12-6-8-23(17)20(21)18(12)25)14-5-7-22-16-4-3-13(26-2)10-15(14)16/h3-5,7,10,12,17,19-20H,6,8-9H2,1-2H3/t12-,17+,19+,20+/m1/s1 |
| InChIKey |
QKCFWGJYNDZVTJ-LUKPVDIQSA-N |
| Molecular Weight |
433.302 g/mol |
| SMILES |
[C@]1(N2CC[C@](C1)(C([C@]2(Br)[H])=O)[H])([C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H])[H] |
| SPLASH |
splash10-0100-0895300000-80f017d8b46de4a9967c |
| Source of Spectrum |
H-81-1436-3 |
| Wiley ID |
1382152 |
