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1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(6-FLUOROBENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
SpectraBase Compound ID LmmDryY4xCB
InChI InChI=1S/C21H18FN7OS/c1-10-7-11(2)24-20(23-10)29-19(30)18(13(4)27-29)16-8-12(3)26-28(16)21-25-15-6-5-14(22)9-17(15)31-21/h5-9,30H,1-4H3
InChIKey UBOOTIYWIFTJCY-UHFFFAOYSA-N
Mol Weight 435.48 g/mol
Molecular Formula C21H18FN7OS
Exact Mass 435.127758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MlL1idpCQL
Name 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(6-FLUOROBENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18FN7OS
InChI InChI=1S/C21H18FN7OS/c1-10-7-11(2)24-20(23-10)29-19(30)18(13(4)27-29)16-8-12(3)26-28(16)21-25-15-6-5-14(22)9-17(15)31-21/h5-9,30H,1-4H3
InChIKey UBOOTIYWIFTJCY-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 435.479 g/mol
Sample ID 73301
Solvent CDCl3