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5-PHENYL-3-[(5-PHENYLAMINO-1,3,4-THIADIAZOL-2-YL)-METHYL]-6-(PARA-TOLYLAZO)-THIENO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LT6xL1SmWCp
InChI InChI=1S/C28H21N7OS2/c1-18-12-14-20(15-13-18)30-32-26-23(19-8-4-2-5-9-19)24-25(38-26)29-17-34(27(24)36)16-22-31-33-28(37)35(22)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,33,37)/b32-30+
InChIKey JOYMNKFTQCQMNY-NHQGMKOOSA-N
Mol Weight 535.64 g/mol
Molecular Formula C28H21N7OS2
Exact Mass 535.124901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTrQeZnAG7l
Name 5-PHENYL-3-[(5-PHENYLAMINO-1,3,4-THIADIAZOL-2-YL)-METHYL]-6-(PARA-TOLYLAZO)-THIENO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H21N7OS2
InChI InChI=1S/C28H21N7OS2/c1-18-12-14-20(15-13-18)30-32-26-23(19-8-4-2-5-9-19)24-25(38-26)29-17-34(27(24)36)16-22-31-33-28(37)35(22)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,33,37)/b32-30+
InChIKey JOYMNKFTQCQMNY-NHQGMKOOSA-N
Literature Reference Author H.M.GABER,M.C.BAGLEY,S.M.SHERIF
Literature Reference Citation EUR.J.CHEM.,1,115(2010)
Literature Reference DOI 10.5155/eurjchem.1.2.115-123.56
Molecular Weight 535.641 g/mol
Solvent DMSO-D6
Source File Reference UWLU83261