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(11B-RS)-4-[(2RS)-2-HYDROXYOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
SpectraBase Compound ID 9Lpz7USt2Eq
InChI InChI=1S/C20H31N3O.HI/c1-2-3-4-5-9-17(24)15-22-20-21-13-11-19-18-10-7-6-8-16(18)12-14-23(19)20;/h6-8,10,17,19,24H,2-5,9,11-15H2,1H3,(H,21,22);1H
InChIKey MVWGTKNXVUNWJX-UHFFFAOYSA-N
Mol Weight 457.4 g/mol
Molecular Formula C20H32IN3O
Exact Mass 457.159008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJWQsfCyHj
Name (11B-RS)-4-[(2RS)-2-HYDROXYOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32IN3O
InChI InChI=1S/C20H31N3O.HI/c1-2-3-4-5-9-17(24)15-22-20-21-13-11-19-18-10-7-6-8-16(18)12-14-23(19)20;/h6-8,10,17,19,24H,2-5,9,11-15H2,1H3,(H,21,22);1H
InChIKey MVWGTKNXVUNWJX-UHFFFAOYSA-N
Literature Reference Author E.GOESSNITZER,A.PUNKENHOFER
Literature Reference Citation MH.CHEM.,134,1271(2003)
Literature Reference DOI 10.1007/s00706-003-0038-9
Molecular Weight 457.398 g/mol
Solvent DMSO-D6
Source File Reference UWKP5110