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trans-1-Cyano-3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID GzwpMXB6l4o
InChI InChI=1S/C22H26N2O5/c1-24-15(13-7-8-17(25-2)18(10-13)26-3)9-14-11-19(27-4)21(28-5)22(29-6)20(14)16(24)12-23/h7-8,10-11,15-16H,9H2,1-6H3/t15-,16+/m0/s1
InChIKey CUCZAPCRWRBTOH-JKSUJKDBSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtgGZ6U6GJk
Name trans-1-Cyano-3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-24-15(13-7-8-17(25-2)18(10-13)26-3)9-14-11-19(27-4)21(28-5)22(29-6)20(14)16(24)12-23/h7-8,10-11,15-16H,9H2,1-6H3/t15-,16+/m0/s1
InChIKey CUCZAPCRWRBTOH-JKSUJKDBSA-N
Molecular Weight 398.459 g/mol
SMILES [C@]1(N([C@@](Cc2cc(c(c(c12)OC)OC)OC)(c1cc(OC)c(cc1)OC)[H])C)(C#N)[H]
SPLASH splash10-0v00-0974000000-2fb17e91a0d892d467e6
Source of Spectrum F-47-9257-2
Synonyms (1S,3S)-3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarbonitrile
Wiley ID 1368431