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1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(6-METHYLBENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
SpectraBase Compound ID HWjnf60AbFL
InChI InChI=1S/C22H21N7OS/c1-11-6-7-16-18(8-11)31-22(25-16)28-17(10-14(4)26-28)19-15(5)27-29(20(19)30)21-23-12(2)9-13(3)24-21/h6-10,30H,1-5H3
InChIKey GQFOKKVZCARSBX-UHFFFAOYSA-N
Mol Weight 431.52 g/mol
Molecular Formula C22H21N7OS
Exact Mass 431.152829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OndP4WzMTp
Name 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(6-METHYLBENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21N7OS
InChI InChI=1S/C22H21N7OS/c1-11-6-7-16-18(8-11)31-22(25-16)28-17(10-14(4)26-28)19-15(5)27-29(20(19)30)21-23-12(2)9-13(3)24-21/h6-10,30H,1-5H3
InChIKey GQFOKKVZCARSBX-UHFFFAOYSA-N
Literature Reference Author R.AGGARWAL,C.RANI,C.SHARMA,K.R.ANEJA
Literature Reference Citation REP.ORG.CHEM.,3,13(2013)
Molecular Weight 431.515 g/mol
Sample ID 73299
Solvent CDCl3