John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3q7JzJZtFym SpectraBase Spectrum ID=1hZuPHfYKVY

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1-(4-CHLOROPHENYL)-4-(ETHOXYCARBONYL)-5-ISOBUTYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 3q7JzJZtFym
InChI InChI=1S/C17H19ClN2O4/c1-4-24-17(23)14-13(9-10(2)3)20(19-15(14)16(21)22)12-7-5-11(18)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKey UCRLVQVCCFMLSU-UHFFFAOYSA-N
Mol Weight 350.8 g/mol
Molecular Formula C17H19ClN2O4
Exact Mass 350.103335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hZuPHfYKVY
Name 1-(4-CHLOROPHENYL)-4-(ETHOXYCARBONYL)-5-ISOBUTYL-1H-PYRAZOLE-3-CARBOXYLIC-ACID
Compound Number 12N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19ClN2O4
InChI InChI=1S/C17H19ClN2O4/c1-4-24-17(23)14-13(9-10(2)3)20(19-15(14)16(21)22)12-7-5-11(18)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKey UCRLVQVCCFMLSU-UHFFFAOYSA-N
Literature Reference Author C.F.MORELLI,A.SALADINO,G.SPERANZA,P.MANITTO
Literature Reference Citation EUR.J.ORG.CHEM.,4621(2005)
Molecular Weight 350.802 g/mol
Sample ID 30579
Solvent CDCl3
SpectraBase Batch ID 1coDWge0XHe