| SpectraBase Spectrum ID |
GfgDm2S61L |
| Name |
2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one |
| Alternate Name(s) |
2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one
2-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24BrNO5S |
| InChI |
InChI=1S/C22H24BrNO5S/c1-22(30-4)15-5-6-17(26-2)20(27-3)14(15)11-24(21(22)25)8-7-13-9-18-19(10-16(13)23)29-12-28-18/h5-6,9-10H,7-8,11-12H2,1-4H3 |
| InChIKey |
IPOSBVFMQBFWBX-UHFFFAOYSA-N |
| Molecular Weight |
494.400 g/mol |
| SMILES |
C1N(C(C(c2ccc(c(c12)OC)OC)(SC)C)=O)CCc1c(cc2c(c1)OCO2)Br |
| SPLASH |
splash10-0006-9000000000-01bb00ee53763bb51237 |
| Source of Spectrum |
E2-48-403-17 |
| Wiley ID |
1555182 |
![2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one](/api/spectrum/GfgDm2S61L/structure.png?h=300&w=458 "2-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one")
