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(3-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)-[5-[(3-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)-CARBONYL]-3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHEN-2-YL]-METHANONE
SpectraBase Compound ID 1Frf6eyyNBi
InChI InChI=1S/C28H22N6O2S2/c1-15-21-16(2)25(23(36)20-14-34(32-27(20)30)18-11-7-4-8-12-18)38-28(21)37-24(15)22(35)19-13-33(31-26(19)29)17-9-5-3-6-10-17/h3-14H,1-2H3,(H2,29,31)(H2,30,32)
InChIKey PYVSCXSLLBOOMP-UHFFFAOYSA-N
Mol Weight 538.64 g/mol
Molecular Formula C28H22N6O2S2
Exact Mass 538.124566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e8wsYqWEeP
Name (3-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)-[5-[(3-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)-CARBONYL]-3,4-DIMETHYLTHIENO-[2,3-B]-THIOPHEN-2-YL]-METHANONE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22N6O2S2
InChI InChI=1S/C28H22N6O2S2/c1-15-21-16(2)25(23(36)20-14-34(32-27(20)30)18-11-7-4-8-12-18)38-28(21)37-24(15)22(35)19-13-33(31-26(19)29)17-9-5-3-6-10-17/h3-14H,1-2H3,(H2,29,31)(H2,30,32)
InChIKey PYVSCXSLLBOOMP-UHFFFAOYSA-N
Literature Reference Author Y.N.MABKHOOT
Literature Reference Citation MOLECULES,14,1904(2009)
Literature Reference DOI 10.3390/molecules14051904
Molecular Weight 538.642 g/mol
Sample ID 69492
Solvent DMSO-D6