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1-Carboxymethyl-5-trifluoromethyl-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID D30cRDgihzx
InChI InChI=1S/C7H9F3N2O3/c1-4-3-6(14,7(8,9)10)12(11-4)5(13)15-2/h14H,3H2,1-2H3
InChIKey KAYSVCLHYOBVFE-UHFFFAOYSA-N
Mol Weight 226.16 g/mol
Molecular Formula C7H9F3N2O3
Exact Mass 226.056527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSEtUMGGdAC
Name 1-CARBOXYMETHYL-5-TRIFLUOROMETHYL-5-HYDROXY-3-METHYL-4,5-DIHYDRO-1H-PYRAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3N2O3
InChI InChI=1S/C7H9F3N2O3/c1-4-3-6(14,7(8,9)10)12(11-4)5(13)15-2/h14H,3H2,1-2H3
InChIKey KAYSVCLHYOBVFE-UHFFFAOYSA-N
Literature Reference Author L.BURIOL,C.P.FRIZZO,M.R.B.MARZARI,D.N.MOREIRA,L.D.T.PROLA,N. ZANATTA,H.G.BONACORS
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1037(2010)
Literature Reference DOI 10.1590/s0103-50532010000600012
Molecular Weight 226.155 g/mol
Source File Reference UWBT5865