| SpectraBase Spectrum ID |
1rMUoGConUZ |
| Name |
8-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-methylsulfanyl-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one |
| Alternate Name(s) |
8-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-(methylthio)-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one
8-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-(methylthio)-9H-[1,3]dioxol[4,5-h]isoquinolin-7-one
8-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-methylsulfanyl-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20BrNO5S |
| InChI |
InChI=1S/C21H20BrNO5S/c1-21(29-2)14-3-4-16-19(28-11-25-16)13(14)9-23(20(21)24)6-5-12-7-17-18(8-15(12)22)27-10-26-17/h3-4,7-8H,5-6,9-11H2,1-2H3 |
| InChIKey |
AQTAOCWJQCOBII-UHFFFAOYSA-N |
| Molecular Weight |
478.357 g/mol |
| SMILES |
C1N(C(C(c2ccc3c(c12)OCO3)(SC)C)=O)CCc1c(cc2c(c1)OCO2)Br |
| SPLASH |
splash10-0006-9000000000-2b00d28ed62e5176803f |
| Source of Spectrum |
E2-48-403-17 |
| Wiley ID |
1555181 |
![8-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-methylsulfanyl-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one](/api/spectrum/1rMUoGConUZ/structure.png?h=300&w=458 "8-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-6-methyl-6-methylsulfanyl-9H-[1,3]dioxolo[4,5-h]isoquinolin-7-one")
