| SpectraBase Spectrum ID |
KhyA1PX4H1O |
| Name |
2-(2-Bromo-4,5-methylenedioxyphenethyl)-7,8-methylenedioxy-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one |
| Alternate Name(s) |
8-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6-(methylsulfanyl)-8,9-dihydro[1,3]dioxolo[4,5-h]isoquinolin-7(6H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18BrNO5S |
| InChI |
InChI=1S/C20H18BrNO5S/c1-28-19-12-2-3-15-18(27-10-24-15)13(12)8-22(20(19)23)5-4-11-6-16-17(7-14(11)21)26-9-25-16/h2-3,6-7,19H,4-5,8-10H2,1H3 |
| InChIKey |
JNVOBNLWWSKJBM-UHFFFAOYSA-N |
| Molecular Weight |
464.330 g/mol |
| SMILES |
C1N(C(C(c2ccc3c(c12)OCO3)SC)=O)CCc1c(cc2c(c1)OCO2)Br |
| SPLASH |
splash10-00ov-0910300000-daf3bb4e68db2c54b33f |
| Source of Spectrum |
E2-48-403-14 |
| Wiley ID |
1555080 |
