| SpectraBase Spectrum ID |
9Cg6kdKEcse |
| Name |
(2S,8R,9S)-2-Bromo-9-acetoxyruban-3-one |
| Alternate Name(s) |
(S)-[(2R,6S)-6-bromo-5-oxo-1-azabicyclo[2.2.2]oct-2-yl](6-methoxy-4-quinolinyl)methyl acetate
Acetic acid (S)-((2R,6S)-6-bromo-5-oxo-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-quinolin-4-yl)-methyl ester |
| 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+/m0/s1 |
| InChIKey |
QKCFWGJYNDZVTJ-PBDPQADMSA-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 |
splash10-016r-0495300000-35a008dfd3398ce8c02a |
| Source of Spectrum |
KC-0-804-2 |
| Wiley ID |
824906 |
