| SpectraBase Spectrum ID |
95ikRiy141r |
| Name |
Ethyl 3-hydroxy-3-[4-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]propionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20BrNO5S |
| InChI |
InChI=1S/C20H20BrNO5S/c1-3-27-19(24)11-18(23)15-12-22(17-6-4-5-16(21)20(15)17)28(25,26)14-9-7-13(2)8-10-14/h4-10,12,18,23H,3,11H2,1-2H3 |
| InChIKey |
YRUIVUBJTTUUJV-UHFFFAOYSA-N |
| Molecular Weight |
466.346 g/mol |
| SMILES |
OC(CC(=O)OCC)c1c[n](c2c1c(ccc2)Br)S(=O)(=O)c1ccc(cc1)C |
| SPLASH |
splash10-0006-9000100000-ca477c9f6af0cb41a8eb |
| Source of Spectrum |
O1-56-528-7 |
| Synonyms |
ethyl 3-{4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3-hydroxypropanoate |
| Wiley ID |
1591688 |
![Ethyl 3-hydroxy-3-[4-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]propionate](/api/spectrum/95ikRiy141r/structure.png?h=300&w=458 "Ethyl 3-hydroxy-3-[4-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]propionate")
