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1-(6'-FLUOROBENZOTHIAZOL-2'-YL)-3-(PARA-CHLOROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
SpectraBase Compound ID D3jCGgc318x
InChI InChI=1S/C17H10ClF4N3OS/c18-10-3-1-9(2-4-10)13-8-16(26,17(20,21)22)25(24-13)15-23-12-6-5-11(19)7-14(12)27-15/h1-7,26H,8H2
InChIKey JTPPKADATCZTMT-UHFFFAOYSA-N
Mol Weight 415.79 g/mol
Molecular Formula C17H10ClF4N3OS
Exact Mass 415.016923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRzgo6j31uK
Name 1-(6'-FLUOROBENZOTHIAZOL-2'-YL)-3-(PARA-CHLOROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H10ClF4N3OS
InChI InChI=1S/C17H10ClF4N3OS/c18-10-3-1-9(2-4-10)13-8-16(26,17(20,21)22)25(24-13)15-23-12-6-5-11(19)7-14(12)27-15/h1-7,26H,8H2
InChIKey JTPPKADATCZTMT-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
Molecular Weight 415.793 g/mol
Sample ID 67645
Solvent CDCl3