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(11B-RS)-4-[(2RS,3RS)-2-HYDROXY-3,7-DIMETHYLOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1

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(11B-RS)-4-[(2RS,3RS)-2-HYDROXY-3,7-DIMETHYLOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
SpectraBase Compound ID GrBkCYpqSqB
InChI InChI=1S/C22H35N3O.HI/c1-16(2)7-6-8-17(3)21(26)15-24-22-23-13-11-20-19-10-5-4-9-18(19)12-14-25(20)22;/h4-5,9-10,16-17,20-21,26H,6-8,11-15H2,1-3H3,(H,23,24);1H
InChIKey UEIVWXGNDGHXAL-UHFFFAOYSA-N
Mol Weight 485.5 g/mol
Molecular Formula C22H36IN3O
Exact Mass 485.190308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJYVZeO0LLZ
Name (11B-RS)-4-[(2RS,3RS)-2-HYDROXY-3,7-DIMETHYLOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
Compound Number 4C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36IN3O
InChI InChI=1S/C22H35N3O.HI/c1-16(2)7-6-8-17(3)21(26)15-24-22-23-13-11-20-19-10-5-4-9-18(19)12-14-25(20)22;/h4-5,9-10,16-17,20-21,26H,6-8,11-15H2,1-3H3,(H,23,24);1H
InChIKey UEIVWXGNDGHXAL-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 485.452 g/mol
Solvent DMSO-D6
Source File Reference UWKP5112