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N-Benzyl-3,3-dimethyl-6-trifluormethansulfonyloxy-8-methoxy-1,2,3,4-tetrahydroiso-quinoline
SpectraBase Compound ID KKj4HPtOPc
InChI InChI=1S/C20H22F3NO4S/c1-19(2)11-15-9-16(28-29(25,26)20(21,22)23)10-18(27-3)17(15)13-24(19)12-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKey RUGNGEVRDNMXDL-UHFFFAOYSA-N
Mol Weight 429.45 g/mol
Molecular Formula C20H22F3NO4S
Exact Mass 429.122164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FXWGdlZZgF
Name N-Benzyl-3,3-dimethyl-6-trifluormethansulfonyloxy-8-methoxy-1,2,3,4-tetrahydroiso-quinoline
Alternate Name(s) 2-Benzyl-8-methoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-yl trifluoromethanesulfonate Trifluoromethanesulfonic acid [8-methoxy-3,3-dimethyl-2-(phenylmethyl)-1,4-dihydroisoquinolin-6-yl] ester (2-benzyl-8-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-6-yl) trifluoromethanesulfonate [8-methoxy-3,3-dimethyl-2-(phenylmethyl)-1,4-dihydroisoquinolin-6-yl] tris(fluoranyl)methanesulfonate
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Formula C20H22F3NO4S
InChI InChI=1S/C20H22F3NO4S/c1-19(2)11-15-9-16(28-29(25,26)20(21,22)23)10-18(27-3)17(15)13-24(19)12-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKey RUGNGEVRDNMXDL-UHFFFAOYSA-N
Molecular Weight 429.454 g/mol
SMILES C1N(C(Cc2cc(cc(c12)OC)OS(=O)(=O)C(F)(F)F)(C)C)Cc1ccccc1
SPLASH splash10-01ox-9110400000-bab6167018fe173d01a6
Source of Spectrum EMC-43-39-26
Wiley ID 1735244