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3,3'-(3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHENE-2,5-DIYL)-BIS-[2-(1H-BENZO-[D]-IMIDAZOL-2(3H)-YLIDENE)-3-OXO-PROPANENITRILE]
SpectraBase Compound ID HcBrBoi6HYt
InChI InChI=1S/C28H18N6O2S2/c1-13-21-14(2)25(23(36)16(12-30)27-33-19-9-5-6-10-20(19)34-27)38-28(21)37-24(13)22(35)15(11-29)26-31-17-7-3-4-8-18(17)32-26/h3-10,31-34H,1-2H3
InChIKey GDOMACAJHFQMMC-UHFFFAOYSA-N
Mol Weight 534.61 g/mol
Molecular Formula C28H18N6O2S2
Exact Mass 534.093266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KG5XWO9qpaa
Name 3,3'-(3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHENE-2,5-DIYL)-BIS-[2-(1H-BENZO-[D]-IMIDAZOL-2(3H)-YLIDENE)-3-OXO-PROPANENITRILE]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H18N6O2S2
InChI InChI=1S/C28H18N6O2S2/c1-13-21-14(2)25(23(36)16(12-30)27-33-19-9-5-6-10-20(19)34-27)38-28(21)37-24(13)22(35)15(11-29)26-31-17-7-3-4-8-18(17)32-26/h3-10,31-34H,1-2H3
InChIKey GDOMACAJHFQMMC-UHFFFAOYSA-N
Literature Reference Author Y.N.MABKHOT,N.A.E.KHEDER,A.M.AL-MAJID
Literature Reference Citation MOLECULES,15,9418(2010)
Literature Reference DOI 10.3390/molecules15129418
Molecular Weight 534.610 g/mol
Sample ID 72789
Solvent DMSO-D6