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(+/-)-1,6,7,11B-TETRAHYDRO-4-METHYLTHIO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE
SpectraBase Compound ID DeJ3SZjzZEL
InChI InChI=1S/C13H16N2S.HI/c1-16-13-14-8-6-12-11-5-3-2-4-10(11)7-9-15(12)13;/h2-5,12H,6-9H2,1H3;1H
InChIKey YCMJFGARKWWGNI-UHFFFAOYSA-N
Mol Weight 360.26 g/mol
Molecular Formula C13H17IN2S
Exact Mass 360.015715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfTL0DXL1l4
Name (+/-)-1,6,7,11B-TETRAHYDRO-4-METHYLTHIO-2H-PYRIMIDO-[4,3-A]-ISOQUINOLINE-HYDROIODIDE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17IN2S
InChI InChI=1S/C13H16N2S.HI/c1-16-13-14-8-6-12-11-5-3-2-4-10(11)7-9-15(12)13;/h2-5,12H,6-9H2,1H3;1H
InChIKey YCMJFGARKWWGNI-UHFFFAOYSA-N
Literature Reference Author E.GOESSNITZER,A.PUNKENHOFER
Literature Reference Citation MH.CHEM.,134,909(2003)
Literature Reference DOI 10.1007/s00706-002-0559-7
Molecular Weight 360.256 g/mol
Solvent DMSO-D6
Source File Reference UWKP4083