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

View entire compound with spectra: 1 MS (GC)

2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one
SpectraBase Compound ID HltPDzU3Gzn
InChI InChI=1S/C22H26BrNO5S/c1-26-17-7-6-14-15(20(17)29-4)12-24(22(25)21(14)30-5)9-8-13-10-18(27-2)19(28-3)11-16(13)23/h6-7,10-11,21H,8-9,12H2,1-5H3
InChIKey SXZJRLJNZOHOKP-UHFFFAOYSA-N
Mol Weight 496.42 g/mol
Molecular Formula C22H26BrNO5S
Exact Mass 495.071507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dj1srjuaOn3
Name 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one
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Formula C22H26BrNO5S
InChI InChI=1S/C22H26BrNO5S/c1-26-17-7-6-14-15(20(17)29-4)12-24(22(25)21(14)30-5)9-8-13-10-18(27-2)19(28-3)11-16(13)23/h6-7,10-11,21H,8-9,12H2,1-5H3
InChIKey SXZJRLJNZOHOKP-UHFFFAOYSA-N
Molecular Weight 496.416 g/mol
SMILES c12c(C(SC)C(N(C2)CCc2c(cc(c(c2)OC)OC)Br)=O)ccc(c1OC)OC
SPLASH splash10-0a4l-1090200000-3784b976bac537f69df4
Source of Spectrum E2-48-403-14
Synonyms 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-(methylthio)-1,4-dihydroisoquinolin-3-one 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-7,8-dimethoxy-4-methylsulfanyl-1,4-dihydroisoquinolin-3-one 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-(methylthio)-1,4-dihydroisoquinolin-3-one
Wiley ID 1555083