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ALPHA,OMEGA-BIS-(9-THIO-1,2,3,4-TETRAHYDROACRIDINIUM-9-YL-CHLORIDE)-HEXANE
SpectraBase Compound ID 3r6gkqrESnk
InChI InChI=1S/C32H36N2S2.2ClH/c1(11-21-35-31-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)34-30-20-10-6-16-26(30)32;;/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2;2*1H
InChIKey GEXDTNIFVANTLO-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C32H38Cl2N2S2
Exact Mass 584.185347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTyBMCP3Mlr
Name ALPHA,OMEGA-BIS-(9-THIO-1,2,3,4-TETRAHYDROACRIDINIUM-9-YL-CHLORIDE)-HEXANE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38Cl2N2S2
InChI InChI=1S/C32H36N2S2.2ClH/c1(11-21-35-31-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)34-30-20-10-6-16-26(30)32;;/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2;2*1H
InChIKey GEXDTNIFVANTLO-UHFFFAOYSA-N
Literature Reference Author R.FAURE,P.POULALLION,J.P.GALY,G.GIOVANANGELLI,J.C.SOYFER,J.B ARBE
Literature Reference Citation MAGN.RES.CHEM.,23,991(1985)
Literature Reference DOI 10.1002/mrc.1260231122
Molecular Weight 585.693 g/mol
Solvent CDCl3
Source File Reference UWCS12860