| SpectraBase Spectrum ID |
5BQugEARXzH |
| Name |
2-(2-Bromo-4,5-dimethoxyphenethyl)-7,8-methylenedioxy-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22BrNO5S |
| InChI |
InChI=1S/C21H22BrNO5S/c1-25-17-8-12(15(22)9-18(17)26-2)6-7-23-10-14-13(20(29-3)21(23)24)4-5-16-19(14)28-11-27-16/h4-5,8-9,20H,6-7,10-11H2,1-3H3 |
| InChIKey |
WATOHLFRJPLXNN-UHFFFAOYSA-N |
| Molecular Weight |
480.373 g/mol |
| SMILES |
C1N(C(C(c2ccc3c(c12)OCO3)SC)=O)CCc1c(cc(c(c1)OC)OC)Br |
| SPLASH |
splash10-000f-0590400000-0fb0697a9e138b7cf3b4 |
| Source of Spectrum |
E2-48-403-14 |
| Synonyms |
8-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-6-(methylsulfanyl)-8,9-dihydro[1,3]dioxolo[4,5-h]isoquinolin-7(6H)-one |
| Wiley ID |
1555082 |
