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(1R,3R)-N-Benzyl-8-methoxy-1,3-dimethyl-6-trifluorosulfonyloxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 9HkbCjsYCxE
InChI InChI=1S/C20H22F3NO4S/c1-13-9-16-10-17(28-29(25,26)20(21,22)23)11-18(27-3)19(16)14(2)24(13)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,9,12H2,1-3H3/t13-,14-/m1/s1
InChIKey KPHIGNHKKWIHSK-ZIAGYGMSSA-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 9ibkxSD3Nfi
Name (1R,3R)-N-Benzyl-8-methoxy-1,3-dimethyl-6-trifluorosulfonyloxy-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) (1R,3R)-2-benzyl-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydro-6-isoquinolinyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22F3NO4S
InChI InChI=1S/C20H22F3NO4S/c1-13-9-16-10-17(28-29(25,26)20(21,22)23)11-18(27-3)19(16)14(2)24(13)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,9,12H2,1-3H3/t13-,14-/m1/s1
InChIKey KPHIGNHKKWIHSK-ZIAGYGMSSA-N
Molecular Weight 429.454 g/mol
SMILES C(S(Oc1cc(OC)c2c(c1)C[C@](N(Cc1ccccc1)[C@@]2(C)[H])(C)[H])(=O)=O)(F)(F)F
SPLASH splash10-0006-9010400000-2f8256e73276c83272de
Source of Spectrum F-52-13423-6
Wiley ID 799198