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1,3-BIS-(5-MERCAPTO-4-PHENYL-1,2,4-TRIAZOL-3-YL)-BENZENE

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1,3-BIS-(5-MERCAPTO-4-PHENYL-1,2,4-TRIAZOL-3-YL)-BENZENE
SpectraBase Compound ID K7c6TdKsPRp
InChI InChI=1S/C22H16N6S2/c29-21-25-23-19(27(21)17-10-3-1-4-11-17)15-8-7-9-16(14-15)20-24-26-22(30)28(20)18-12-5-2-6-13-18/h1-14H,(H,25,29)(H,26,30)
InChIKey RELFFSSZNUMZAB-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C22H16N6S2
Exact Mass 428.087787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCTyTpXYEjj
Name 1,3-BIS-(5-MERCAPTO-4-PHENYL-1,2,4-TRIAZOL-3-YL)-BENZENE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N6S2
InChI InChI=1S/C22H16N6S2/c29-21-25-23-19(27(21)17-10-3-1-4-11-17)15-8-7-9-16(14-15)20-24-26-22(30)28(20)18-12-5-2-6-13-18/h1-14H,(H,25,29)(H,26,30)
InChIKey RELFFSSZNUMZAB-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 428.529 g/mol
Source File Reference UWIR5126