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

View entire compound with spectra: 1 MS (GC)

2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-ethyl-7,8-dimethoxy-4-methylsulfanyl-1H-isoquinolin-3-one
SpectraBase Compound ID D1pXAmmkW8s
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
Mol Weight 524.47 g/mol
Molecular Formula C24H30BrNO5S
Exact Mass 523.102807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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
Synonyms 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
Wiley ID 1555180