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1-[trans-2-(2-Pyridyl)aminocyclooctyl)isoquinoline
SpectraBase Compound ID 4Syo4JCNmhX
InChI InChI=1S/C22H25N3/c1-2-4-12-20(25-21-13-7-8-15-23-21)19(11-3-1)22-18-10-6-5-9-17(18)14-16-24-22/h5-10,13-16,19-20H,1-4,11-12H2,(H,23,25)/t19-,20-/m1/s1
InChIKey VZKZREBTFNGOHQ-WOJBJXKFSA-N
Mol Weight 331.46 g/mol
Molecular Formula C22H25N3
Exact Mass 331.204848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kr9F7eSEhhk
Name 1-[TRANS-2-(2-PYRIDYL)-AMINOCYCLOOCTYL]-ISOQUINOLINE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N3
InChI InChI=1S/C22H25N3/c1-2-4-12-20(25-21-13-7-8-15-23-21)19(11-3-1)22-18-10-6-5-9-17(18)14-16-24-22/h5-10,13-16,19-20H,1-4,11-12H2,(H,23,25)/t19-,20-/m1/s1
InChIKey VZKZREBTFNGOHQ-WOJBJXKFSA-N
Literature Reference Author R.HUISGEN,F.PALACIOS-GAMBRA,K.POLBORN,D.BOECKH
Literature Reference Citation HETEROCYCLES,50,353(1999)
Literature Reference DOI 10.3987/COM-98-S(H)59
Molecular Weight 331.461 g/mol
Solvent CDCl3
Source File Reference UWGE6071