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(3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHENE-2,5-DIYL)-BIS-[[3-AMINO-5-(METHYLTHIO)-1H-PYRAZOL-4-YL]-METHANONE]
SpectraBase Compound ID IonEg2BZhN6
InChI InChI=1S/C18H18N6O2S4/c1-5-7-6(2)13(11(26)9-15(20)22-24-17(9)28-4)30-18(7)29-12(5)10(25)8-14(19)21-23-16(8)27-3/h1-4H3,(H3,19,21,23)(H3,20,22,24)
InChIKey MAYXBRHWAGRIGA-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C18H18N6O2S4
Exact Mass 478.037409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iioebtdTyU
Name (3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHENE-2,5-DIYL)-BIS-[[3-AMINO-5-(METHYLTHIO)-1H-PYRAZOL-4-YL]-METHANONE]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N6O2S4
InChI InChI=1S/C18H18N6O2S4/c1-5-7-6(2)13(11(26)9-15(20)22-24-17(9)28-4)30-18(7)29-12(5)10(25)8-14(19)21-23-16(8)27-3/h1-4H3,(H3,19,21,23)(H3,20,22,24)
InChIKey MAYXBRHWAGRIGA-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 478.620 g/mol
Sample ID 72790
Solvent DMSO-D6