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ALPHA,OMEGA-BIS-(9-THIO-1,2,3,4-TETRAHYDROACRIDINIUM-9-YL-CHLORIDE)-PENTANE
SpectraBase Compound ID B7G7T4sGxzm
InChI InChI=1S/C31H34N2S2.2ClH/c1(10-20-34-30-22-12-2-6-16-26(22)32-27-17-7-3-13-23(27)30)11-21-35-31-24-14-4-8-18-28(24)33-29-19-9-5-15-25(29)31;;/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2;2*1H
InChIKey KVLOMEWEXSWAET-UHFFFAOYSA-N
Mol Weight 571.67 g/mol
Molecular Formula C31H36Cl2N2S2
Exact Mass 570.169697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVTOhihMwkr
Name ALPHA,OMEGA-BIS-(9-THIO-1,2,3,4-TETRAHYDROACRIDINIUM-9-YL-CHLORIDE)-PENTANE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36Cl2N2S2
InChI InChI=1S/C31H34N2S2.2ClH/c1(10-20-34-30-22-12-2-6-16-26(22)32-27-17-7-3-13-23(27)30)11-21-35-31-24-14-4-8-18-28(24)33-29-19-9-5-15-25(29)31;;/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2;2*1H
InChIKey KVLOMEWEXSWAET-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 571.666 g/mol
Solvent CDCl3
Source File Reference UWCS12859