For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(6'-METHYLBENZOTHIAZOL-2'-YL)-3-(PARA-NITROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
SpectraBase Compound ID 6OkFzdp4jRP
InChI InChI=1S/C18H13F3N4O3S/c1-10-2-7-13-15(8-10)29-16(22-13)24-17(26,18(19,20)21)9-14(23-24)11-3-5-12(6-4-11)25(27)28/h2-8,26H,9H2,1H3
InChIKey AGJITCDTYWVUKB-UHFFFAOYSA-N
Mol Weight 422.38 g/mol
Molecular Formula C18H13F3N4O3S
Exact Mass 422.066046 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FgqOoqLzA5E
Name 1-(6'-METHYLBENZOTHIAZOL-2'-YL)-3-(PARA-NITROPHENYL)-5-HYDROXY-5-TRIFLUOROMETHYL-PYRAZOLE
Compound Number 14F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13F3N4O3S
InChI InChI=1S/C18H13F3N4O3S/c1-10-2-7-13-15(8-10)29-16(22-13)24-17(26,18(19,20)21)9-14(23-24)11-3-5-12(6-4-11)25(27)28/h2-8,26H,9H2,1H3
InChIKey AGJITCDTYWVUKB-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 UWSI67644