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(1S,2S)-1-(2-Anilinocyclooctyl)isoquinoline
SpectraBase Compound ID 7X3FhU9PqzN
InChI InChI=1S/C23H26N2/c1-2-7-15-22(25-19-11-4-3-5-12-19)21(14-6-1)23-20-13-9-8-10-18(20)16-17-24-23/h3-5,8-13,16-17,21-22,25H,1-2,6-7,14-15H2/t21-,22-/m0/s1
InChIKey PPWNCDHHACFRDG-VXKWHMMOSA-N
Mol Weight 330.48 g/mol
Molecular Formula C23H26N2
Exact Mass 330.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMDoL58I0T1
Name (1S,2S)-1-(2-Anilinocyclooctyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2
InChI InChI=1S/C23H26N2/c1-2-7-15-22(25-19-11-4-3-5-12-19)21(14-6-1)23-20-13-9-8-10-18(20)16-17-24-23/h3-5,8-13,16-17,21-22,25H,1-2,6-7,14-15H2/t21-,22-/m0/s1
InChIKey PPWNCDHHACFRDG-VXKWHMMOSA-N
Molecular Weight 330.475 g/mol
SMILES N([C@@]1([C@@](c2c3c(cccc3)ccn2)(CCCCCC1)[H])[H])c1ccccc1
SPLASH splash10-0k9x-1951000000-63658706054a7b5c9d15
Source of Spectrum H1-50-360-8
Synonyms (1S,2S)-2-(1-isoquinolinyl)-N-phenylcyclooctanamine 1-(trans-2-Anilinocyclooctyl)isoquinoline N-[(1S,2S)-2-(1-isoquinolinyl)cyclooctyl]-N-phenylamine
Wiley ID 816766