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2-(2-Bromo-4,5-methylenedioxyphenethyl)-7,8-methylenedioxy-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one
SpectraBase Compound ID HQ5DL1H4kO5
InChI InChI=1S/C20H18BrNO5S/c1-28-19-12-2-3-15-18(27-10-24-15)13(12)8-22(20(19)23)5-4-11-6-16-17(7-14(11)21)26-9-25-16/h2-3,6-7,19H,4-5,8-10H2,1H3
InChIKey JNVOBNLWWSKJBM-UHFFFAOYSA-N
Mol Weight 464.33 g/mol
Molecular Formula C20H18BrNO5S
Exact Mass 463.008907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhyA1PX4H1O
Name 2-(2-Bromo-4,5-methylenedioxyphenethyl)-7,8-methylenedioxy-4-(methylthio)-1,2,3,4-tetrahydroisoquinolin-3-one
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Formula C20H18BrNO5S
InChI InChI=1S/C20H18BrNO5S/c1-28-19-12-2-3-15-18(27-10-24-15)13(12)8-22(20(19)23)5-4-11-6-16-17(7-14(11)21)26-9-25-16/h2-3,6-7,19H,4-5,8-10H2,1H3
InChIKey JNVOBNLWWSKJBM-UHFFFAOYSA-N
Molecular Weight 464.330 g/mol
SMILES C1N(C(C(c2ccc3c(c12)OCO3)SC)=O)CCc1c(cc2c(c1)OCO2)Br
SPLASH splash10-00ov-0910300000-daf3bb4e68db2c54b33f
Source of Spectrum E2-48-403-14
Synonyms 8-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-6-(methylsulfanyl)-8,9-dihydro[1,3]dioxolo[4,5-h]isoquinolin-7(6H)-one
Wiley ID 1555080