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1(4),6(4)-DIALLYL-9(1,2)-BENZENA-7,11-DITHIA-1,3(3,5)(5,3)-DI-(1,2,4-TRIAZOLA)-CYCLOUNDECAPHANE
SpectraBase Compound ID AG3GJV2spMn
InChI InChI=1S/C22H26N6S2/c1-3-13-27-19-11-7-8-12-20-24-26-22(28(20)14-4-2)30-16-18-10-6-5-9-17(18)15-29-21(27)25-23-19/h3-6,9-10H,1-2,7-8,11-16H2
InChIKey GLWTWLQAPNTDRE-UHFFFAOYSA-N
Mol Weight 438.61 g/mol
Molecular Formula C22H26N6S2
Exact Mass 438.166037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMKsUa8ZO9Y
Name 1(4),6(4)-DIALLYL-9(1,2)-BENZENA-7,11-DITHIA-1,3(3,5)(5,3)-DI-(1,2,4-TRIAZOLA)-CYCLOUNDECAPHANE
Compound Number 5M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N6S2
InChI InChI=1S/C22H26N6S2/c1-3-13-27-19-11-7-8-12-20-24-26-22(28(20)14-4-2)30-16-18-10-6-5-9-17(18)15-29-21(27)25-23-19/h3-6,9-10H,1-2,7-8,11-16H2
InChIKey GLWTWLQAPNTDRE-UHFFFAOYSA-N
Literature Reference Author M.S.CHANDE,K.A.PUTHAMANE,P.A.BARVE,R.R.KHANWELKAR,D.S.VENKAT ARAMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,42(2008)
Literature Reference DOI 10.1590/s0103-50532008000100008
Molecular Weight 438.609 g/mol
Source File Reference UWIR5123