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(11B-RS)-4-[(2RS,3RS)-2-BROMO-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-BROMO-3,7-DIMETHYLOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
SpectraBase Compound ID 2bHNglOPTTT
InChI InChI=1S/C22H34BrN3.HI/c1-16(2)7-6-8-17(3)20(23)15-25-22-24-13-11-21-19-10-5-4-9-18(19)12-14-26(21)22;/h4-5,9-10,16-17,20-21H,6-8,11-15H2,1-3H3,(H,24,25);1H
InChIKey FTWAOYVCENTEBH-UHFFFAOYSA-N
Mol Weight 548.4 g/mol
Molecular Formula C22H35BrIN3
Exact Mass 547.105906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PG62auhdno
Name (11B-RS)-4-[(2RS,3RS)-2-BROMO-3,7-DIMETHYLOCTYLAMINO]-1,6,7,11B-TETRAHYDRO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE;ISOMER-#1
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35BrIN3
InChI InChI=1S/C22H34BrN3.HI/c1-16(2)7-6-8-17(3)20(23)15-25-22-24-13-11-21-19-10-5-4-9-18(19)12-14-26(21)22;/h4-5,9-10,16-17,20-21H,6-8,11-15H2,1-3H3,(H,24,25);1H
InChIKey FTWAOYVCENTEBH-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 548.349 g/mol
Solvent DMSO-D6
Source File Reference UWKP5118