| SpectraBase Spectrum ID |
Km2MyF6LPPw |
| Name |
3-(2'-bromo-3',4',5'-trimethoxy-6'-(1''-methyl-1H-indol-5''-yl)phenyl)propanoic acid |
| Appearance |
White-pink polycrystalline powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22BrNO5 |
| InChI |
InChI=1S/C21H22BrNO5/c1-23-10-9-12-11-13(5-7-15(12)23)17-14(6-8-16(24)25)18(22)20(27-3)21(28-4)19(17)26-2/h5,7,9-11H,6,8H2,1-4H3,(H,24,25) |
| InChIKey |
GLVUJZYYKLTSDR-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
448.313 g/mol |
| Reported Formula |
C21H22BrNO5 |
| SMILES |
OC(CCc1c(c(c(c(c1-c1cc2c(cc1)[n](cc2)C)OC)OC)OC)Br)=O |
| SPLASH |
splash10-052g-0294300000-bc8b2ebc49332e25b853 |
| Source of Spectrum |
RU2500670C1 |
| Thin-Layer Chromatography |
Rf = 0.25 (EtOH/EtOAc/CyH, 1:1:7) |
| Wiley ID |
1852425 |
