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1(4),6(4)-DIPHENYL-7,9-DITHIA-1,6(3,5)-DI-(1,2,4-TRIAZOLA)-CYCLONONAPHANE

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1(4),6(4)-DIPHENYL-7,9-DITHIA-1,6(3,5)-DI-(1,2,4-TRIAZOLA)-CYCLONONAPHANE
SpectraBase Compound ID GFfyOtUHVtP
InChI InChI=1S/C21H20N6S2/c1-3-9-16(10-4-1)26-18-13-7-8-14-19-23-25-21(29-15-28-20(26)24-22-18)27(19)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKey WFRSYBJPCCGDIN-UHFFFAOYSA-N
Mol Weight 420.55 g/mol
Molecular Formula C21H20N6S2
Exact Mass 420.119087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L91EqaI1TgL
Name 1(4),6(4)-DIPHENYL-7,9-DITHIA-1,6(3,5)-DI-(1,2,4-TRIAZOLA)-CYCLONONAPHANE
Compound Number 5J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N6S2
InChI InChI=1S/C21H20N6S2/c1-3-9-16(10-4-1)26-18-13-7-8-14-19-23-25-21(29-15-28-20(26)24-22-18)27(19)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2
InChIKey WFRSYBJPCCGDIN-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 420.550 g/mol
Source File Reference UWIR5120