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6,7-Dimethoxy-N-methyl-1-[(p-tolyl)sulfinyl]methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 77ZkKq7WKLv
InChI InChI=1S/C21H24F3NO3S/c1-14-5-7-16(8-6-14)29(26)13-20(21(22,23)24)17-12-19(28-4)18(27-3)11-15(17)9-10-25(20)2/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey PMMBZCAUBOPLKZ-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H24F3NO3S
Exact Mass 427.142899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyBBdJxU1uR
Name 6,7-Dimethoxy-N-methyl-1-[(p-tolyl)sulfinyl]methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
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Formula C21H24F3NO3S
InChI InChI=1S/C21H24F3NO3S/c1-14-5-7-16(8-6-14)29(26)13-20(21(22,23)24)17-12-19(28-4)18(27-3)11-15(17)9-10-25(20)2/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey PMMBZCAUBOPLKZ-UHFFFAOYSA-N
Molecular Weight 427.482 g/mol
SMILES C1(c2c(cc(c(c2)OC)OC)CCN1C)(C(F)(F)F)CS(c1ccc(cc1)C)=O
SPLASH splash10-014i-0092000000-4f3ae3abccab01ba9026
Source of Spectrum U1-1998-438-5
Synonyms 6,7-Dimethoxy-2-methyl-1-{[(4-methylphenyl)sulfinyl]methyl}-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline [6,7-dimethoxy-2-methyl-1-(trifluoromethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl 4-methylphenyl sulfoxide
Wiley ID 750867