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1-(6'-METHYLBENZOTHIAZOL-2'-YL)-5-(PARA-NITROPHENYL)-3-TRIFLUOROMETHYL-PYRAZOLE

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1-(6'-METHYLBENZOTHIAZOL-2'-YL)-5-(PARA-NITROPHENYL)-3-TRIFLUOROMETHYL-PYRAZOLE
SpectraBase Compound ID DB1zqyfeaeV
InChI InChI=1S/C18H11F3N4O2S/c1-10-2-7-13-15(8-10)28-17(22-13)24-14(9-16(23-24)18(19,20)21)11-3-5-12(6-4-11)25(26)27/h2-9H,1H3
InChIKey YIKJHHVOCCBLMO-UHFFFAOYSA-N
Mol Weight 404.37 g/mol
Molecular Formula C18H11F3N4O2S
Exact Mass 404.055481 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaeLco4y2t7
Name 1-(6'-METHYLBENZOTHIAZOL-2'-YL)-5-(PARA-NITROPHENYL)-3-TRIFLUOROMETHYL-PYRAZOLE
Compound Number 9F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11F3N4O2S
InChI InChI=1S/C18H11F3N4O2S/c1-10-2-7-13-15(8-10)28-17(22-13)24-14(9-16(23-24)18(19,20)21)11-3-5-12(6-4-11)25(26)27/h2-9H,1H3
InChIKey YIKJHHVOCCBLMO-UHFFFAOYSA-N
Literature Reference Author S.P.SINGH,V.KUMAR,R.AGGARWAL,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,43,1003(2006)
Literature Reference DOI 10.1002/jhet.5570430428
Solvent CDCl3
Source File Reference UWSI67632