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7,8-Dimethoxy-2{-2-(3,4-dimethoxyphenyl)ethyl}-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one
SpectraBase Compound ID EolMFnY4ZnA
InChI InChI=1S/C22H27NO5S/c1-25-17-8-6-14(12-19(17)27-3)10-11-23-13-16-15(21(29-5)22(23)24)7-9-18(26-2)20(16)28-4/h6-9,12,21H,10-11,13H2,1-5H3
InChIKey DORFWFNYOVDTGC-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51lFKyIUvWF
Name 7,8-Dimethoxy-2{-2-(3,4-dimethoxyphenyl)ethyl}-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one
Alternate Name(s) 2-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone 7,8-Dimethoxy-2-(3,4-dimethoxybenzyl)-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one
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Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-25-17-8-6-14(12-19(17)27-3)10-11-23-13-16-15(21(29-5)22(23)24)7-9-18(26-2)20(16)28-4/h6-9,12,21H,10-11,13H2,1-5H3
InChIKey DORFWFNYOVDTGC-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
SMILES c12c(C(SC)C(N(C2)CCc2cc(OC)c(cc2)OC)=O)ccc(c1OC)OC
SPLASH splash10-03di-0900000000-11af005f034daeee39a9
Source of Spectrum E2-48-402-7
Wiley ID 1555086