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2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one

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2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one
SpectraBase Compound ID 3MmRKbfnOHZ
InChI InChI=1S/C23H28BrNO5S/c1-23(31-6)16-7-8-18(27-2)21(30-5)15(16)13-25(22(23)26)10-9-14-11-19(28-3)20(29-4)12-17(14)24/h7-8,11-12H,9-10,13H2,1-6H3
InChIKey WXLUJMAERKZOIO-UHFFFAOYSA-N
Mol Weight 510.44 g/mol
Molecular Formula C23H28BrNO5S
Exact Mass 509.087157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QAwjkkSMYP
Name 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one
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Formula C23H28BrNO5S
InChI InChI=1S/C23H28BrNO5S/c1-23(31-6)16-7-8-18(27-2)21(30-5)15(16)13-25(22(23)26)10-9-14-11-19(28-3)20(29-4)12-17(14)24/h7-8,11-12H,9-10,13H2,1-6H3
InChIKey WXLUJMAERKZOIO-UHFFFAOYSA-N
Molecular Weight 510.443 g/mol
SMILES C1N(C(C(c2ccc(c(c12)OC)OC)(SC)C)=O)CCc1c(cc(c(c1)OC)OC)Br
SPLASH splash10-03xr-0060900000-85ce6a7d8ac6ad54b170
Source of Spectrum E2-48-403-17
Synonyms 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methyl-4-methylsulfanyl-1H-isoquinolin-3-one 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylthio)-1H-isoquinolin-3-one
Wiley ID 1555079