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1-(1,1-DIMETHYLETHYL)-5-(FUR-2-YL)-3-TRIFLUOROMETHYL-1H-PYRAZOLE
SpectraBase Compound ID 7flAmjqkOVL
InChI InChI=1S/C12H13F3N2O/c1-11(2,3)17-8(9-5-4-6-18-9)7-10(16-17)12(13,14)15/h4-7H,1-3H3
InChIKey HOPBXCCDBACYTD-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C12H13F3N2O
Exact Mass 258.097998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGV54u71APl
Name 1-(1,1-DIMETHYLETHYL)-5-(FUR-2-YL)-3-TRIFLUOROMETHYL-1H-PYRAZOLE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3N2O
InChI InChI=1S/C12H13F3N2O/c1-11(2,3)17-8(9-5-4-6-18-9)7-10(16-17)12(13,14)15/h4-7H,1-3H3
InChIKey HOPBXCCDBACYTD-UHFFFAOYSA-N
Literature Reference Author M.A.P.MARTINS,M.R.B.MARZARI,C.P.FRIZZO,M.ZANATTA,L.BURIOL,V. P.ANDRADE,N.ZANATTA,
Literature Reference Citation EUR.J.ORG.CHEM.,2012,7112(2012)
Literature Reference DOI 10.1002/ejoc.201201111
Molecular Weight 258.243 g/mol
Solvent CDCl3
Source File Reference UWLU83525