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1(4),6(4)-DIETHYL-9(1,2)-BENZENA-7,11-DITHIA-1,3(3,5)(5,3)-DI-(1,2,4-TRIAZOLA)-CYCLOUNDECAPHANE
SpectraBase Compound ID HUZlANHau8u
InChI InChI=1S/C20H26N6S2/c1-3-25-17-11-7-8-12-18-22-24-20(26(18)4-2)28-14-16-10-6-5-9-15(16)13-27-19(25)23-21-17/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
InChIKey QNOSFKRZKRCPRT-UHFFFAOYSA-N
Mol Weight 414.59 g/mol
Molecular Formula C20H26N6S2
Exact Mass 414.166037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ptYrnnqVYv
Name 1(4),6(4)-DIETHYL-9(1,2)-BENZENA-7,11-DITHIA-1,3(3,5)(5,3)-DI-(1,2,4-TRIAZOLA)-CYCLOUNDECAPHANE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N6S2
InChI InChI=1S/C20H26N6S2/c1-3-25-17-11-7-8-12-18-22-24-20(26(18)4-2)28-14-16-10-6-5-9-15(16)13-27-19(25)23-21-17/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3
InChIKey QNOSFKRZKRCPRT-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 414.587 g/mol
Source File Reference UWIR5122