| SpectraBase Spectrum ID |
217S9Bf2K88 |
| Name |
2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one |
| Alternate Name(s) |
2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-(methylthio)-1H-isoquinolin-3-one
2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-(methylthio)-1H-isoquinolin-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H30BrNO5S |
| InChI |
InChI=1S/C24H30BrNO5S/c1-7-24(32-6)17-8-9-19(28-2)22(31-5)16(17)14-26(23(24)27)11-10-15-12-20(29-3)21(30-4)13-18(15)25/h8-9,12-13H,7,10-11,14H2,1-6H3 |
| InChIKey |
MVMHFHANWWXRHL-UHFFFAOYSA-N |
| Molecular Weight |
524.470 g/mol |
| SMILES |
C1N(C(C(c2ccc(c(c12)OC)OC)(SC)CC)=O)CCc1c(cc(c(c1)OC)OC)Br |
| SPLASH |
splash10-001i-0090000000-52a2adaff5bd6ad92640 |
| Source of Spectrum |
E2-48-403-18 |
| Wiley ID |
1555180 |
![2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one](/api/spectrum/217S9Bf2K88/structure.png?h=300&w=458 "2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one")
