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1-(6'-METHYLBENZOTHIAZOL-2'-YL)-3-(PARA-CHLOROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
SpectraBase Compound ID KTbHifrYl2p
InChI InChI=1S/C18H13ClF3N3OS/c1-10-2-7-13-15(8-10)27-16(23-13)25-17(26,18(20,21)22)9-14(24-25)11-3-5-12(19)6-4-11/h2-8,26H,9H2,1H3
InChIKey OFDRTILGPYULGQ-UHFFFAOYSA-N
Mol Weight 411.83 g/mol
Molecular Formula C18H13ClF3N3OS
Exact Mass 411.041995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4PEYY1bnrs
Name 1-(6'-METHYLBENZOTHIAZOL-2'-YL)-3-(PARA-CHLOROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13ClF3N3OS
InChI InChI=1S/C18H13ClF3N3OS/c1-10-2-7-13-15(8-10)27-16(23-13)25-17(26,18(20,21)22)9-14(24-25)11-3-5-12(19)6-4-11/h2-8,26H,9H2,1H3
InChIKey OFDRTILGPYULGQ-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 411.829 g/mol
Sample ID 67643
Solvent CDCl3