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BIS-[3-[5-(3-METHYLBENZO-[B]-FURAN-7-YL)-1,3,4-THIADIAZOL-2-YL]-2-(4-METHYLPHENYL)-5-[(Z)-1-(ARYL)-METHYLIDENE]-1,3-THIAZO-LAN-4-ONE]-METHANE
SpectraBase Compound ID DY9ezjGEXNu
InChI InChI=1S/C59H46N6O4S4/c1-32-7-15-38(16-8-32)28-48-54(66)64(56(70-48)42-19-11-34(3)12-20-42)58-62-60-52(72-58)46-26-40(24-44-36(5)30-68-50(44)46)23-41-25-45-37(6)31-69-51(45)47(27-41)53-61-63-59(73-53)65-55(67)49(29-39-17-9-33(2)10-18-39)71-57(65)43-21-13-35(4)14-22-43/h7-22,24-31,56-57H,23H2,1-6H3/b48-28-,49-29-
InChIKey KHVFTCBVAFKLMZ-ONGDKRLTSA-N
Mol Weight 1031.3 g/mol
Molecular Formula C59H46N6O4S4
Exact Mass 1030.246339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nwmT6UOvVI
Name BIS-[3-[5-(3-METHYLBENZO-[B]-FURAN-7-YL)-1,3,4-THIADIAZOL-2-YL]-2-(4-METHYLPHENYL)-5-[(Z)-1-(ARYL)-METHYLIDENE]-1,3-THIAZO-LAN-4-ONE]-METHANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H46N6O4S4
InChI InChI=1S/C59H46N6O4S4/c1-32-7-15-38(16-8-32)28-48-54(66)64(56(70-48)42-19-11-34(3)12-20-42)58-62-60-52(72-58)46-26-40(24-44-36(5)30-68-50(44)46)23-41-25-45-37(6)31-69-51(45)47(27-41)53-61-63-59(73-53)65-55(67)49(29-39-17-9-33(2)10-18-39)71-57(65)43-21-13-35(4)14-22-43/h7-22,24-31,56-57H,23H2,1-6H3/b48-28-,49-29-
InChIKey KHVFTCBVAFKLMZ-ONGDKRLTSA-N
Literature Reference Author S.R.CHERKUPALLY,C.R.DASARI,Y.VOOKANTI,N.ADKI
Literature Reference Citation ORG.COMMUN.,3,57(2010)
Molecular Weight 1031.292 g/mol
Solvent DMSO-D6
Source File Reference UWIR13887