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trans-1-Cyano-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID Fz2Bs9NtzsC
InChI InChI=1S/C21H24N2O4/c1-23-16(13-6-7-18(24-2)19(9-13)25-3)8-14-10-20(26-4)21(27-5)11-15(14)17(23)12-22/h6-7,9-11,16-17H,8H2,1-5H3/t16-,17+/m0/s1
InChIKey ORURSHWLLSETIE-DLBZAZTESA-N
Mol Weight 368.43 g/mol
Molecular Formula C21H24N2O4
Exact Mass 368.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWz6G7kShdm
Name trans-1-Cyano-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) (1S,3S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4
InChI InChI=1S/C21H24N2O4/c1-23-16(13-6-7-18(24-2)19(9-13)25-3)8-14-10-20(26-4)21(27-5)11-15(14)17(23)12-22/h6-7,9-11,16-17H,8H2,1-5H3/t16-,17+/m0/s1
InChIKey ORURSHWLLSETIE-DLBZAZTESA-N
Molecular Weight 368.433 g/mol
SMILES [C@]1(N([C@@](Cc2cc(c(cc12)OC)OC)(c1cc(OC)c(cc1)OC)[H])C)(C#N)[H]
SPLASH splash10-0udl-0907000000-be72fe9d7bf1edb0e676
Source of Spectrum F-47-9257-2
Wiley ID 1353144