| SpectraBase Spectrum ID |
6TiEn7oP7FG |
| Name |
(R)-3-Bromomethyl-N-(sec-butyl)-N-methyl-4-phenylquinoline-2-carboxamide |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23BrN2O |
| InChI |
InChI=1S/C22H23BrN2O/c1-4-15(2)25(3)22(26)21-18(14-23)20(16-10-6-5-7-11-16)17-12-8-9-13-19(17)24-21/h5-13,15H,4,14H2,1-3H3/t15-/m1/s1 |
| InChIKey |
TVJBKLGPYWKNAJ-OAHLLOKOSA-N |
| Ionization Type |
EI |
| Molecular Weight |
411.343 g/mol |
| Optical Rotation |
[a]D28 = -9.0 (c = 1.0, CHCl3) |
| Reported Formula |
C22H23(79)BrN2O |
| SMILES |
C(Br)c1c(nc2c(c1-c1ccccc1)cccc2)C(=O)N([C@](C)(CC)[H])C |
| SPLASH |
splash10-000i-9370000000-4946e41f38ae868cf721 |
| Source of Spectrum |
US20210107877A1 |
| Wiley ID |
1879963 |
