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1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(BENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL

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1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(BENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
SpectraBase Compound ID F7cmxaW1epk
InChI InChI=1S/C21H19N7OS/c1-11-9-12(2)23-20(22-11)28-19(29)18(14(4)26-28)16-10-13(3)25-27(16)21-24-15-7-5-6-8-17(15)30-21/h5-10,29H,1-4H3
InChIKey YKIJXBGOTGKIIY-UHFFFAOYSA-N
Mol Weight 417.49 g/mol
Molecular Formula C21H19N7OS
Exact Mass 417.137179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LIrosz6ZgF
Name 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-1'-(BENZOTHIAZOL-2-YL)-3,3'-DIMETHYL-(4,5'-BIPYRAZOL)-5-OL
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19N7OS
InChI InChI=1S/C21H19N7OS/c1-11-9-12(2)23-20(22-11)28-19(29)18(14(4)26-28)16-10-13(3)25-27(16)21-24-15-7-5-6-8-17(15)30-21/h5-10,29H,1-4H3
InChIKey YKIJXBGOTGKIIY-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 417.488 g/mol
Sample ID 73298
Solvent CDCl3