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6,7-Dimethoxy-1-[(p-tolyl)sulfinyl]methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 9g533XsV0If
InChI InChI=1S/C20H22F3NO3S/c1-13-4-6-15(7-5-13)28(25)12-19(20(21,22)23)16-11-18(27-3)17(26-2)10-14(16)8-9-24-19/h4-7,10-11,24H,8-9,12H2,1-3H3
InChIKey QYGZASMMYSJEDE-UHFFFAOYSA-N
Mol Weight 413.46 g/mol
Molecular Formula C20H22F3NO3S
Exact Mass 413.127249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AsJZmmwvgg
Name 6,7-Dimethoxy-1-[(p-tolyl)sulfinyl]methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C20H22F3NO3S
InChI InChI=1S/C20H22F3NO3S/c1-13-4-6-15(7-5-13)28(25)12-19(20(21,22)23)16-11-18(27-3)17(26-2)10-14(16)8-9-24-19/h4-7,10-11,24H,8-9,12H2,1-3H3
InChIKey QYGZASMMYSJEDE-UHFFFAOYSA-N
Molecular Weight 413.455 g/mol
SMILES N1CCc2c(C1(C(F)(F)F)CS(=O)c1ccc(cc1)C)cc(c(c2)OC)OC
SPLASH splash10-000i-0900100000-01cfe34c8bea4e36508b
Source of Spectrum U1-1998-438-4
Synonyms 6,7-dimethoxy-1-{[(4-methylphenyl)sulfinyl]methyl}-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline [6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl 4-methylphenyl sulfoxide
Wiley ID 750868