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1H-pyrazole-1-acetic acid, 3-(4-chlorophenyl)-4,5-dihydro-5-hydroxy-alpha-oxo-5-(trifluoromethyl)-, ethyl ester

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1H-pyrazole-1-acetic acid, 3-(4-chlorophenyl)-4,5-dihydro-5-hydroxy-alpha-oxo-5-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 1vsD5ZluJjI
InChI InChI=1S/C14H12ClF3N2O4/c1-2-24-12(22)11(21)20-13(23,14(16,17)18)7-10(19-20)8-3-5-9(15)6-4-8/h3-6,23H,2,7H2,1H3
InChIKey QTPCEIAGSRUKHC-UHFFFAOYSA-N
Mol Weight 364.71 g/mol
Molecular Formula C14H12ClF3N2O4
Exact Mass 364.043769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pHSEPQPsya
Name 1H-Pyrazole-1-acetic acid, 3-(4-chlorophenyl)-4,5-dihydro-5-hydroxy-alpha-oxo-5-(trifluoromethyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.043769059 u
Formula C14H12ClF3N2O4
InChI InChI=1S/C14H12ClF3N2O4/c1-2-24-12(22)11(21)20-13(23,14(16,17)18)7-10(19-20)8-3-5-9(15)6-4-8/h3-6,23H,2,7H2,1H3
InChIKey QTPCEIAGSRUKHC-UHFFFAOYSA-N
Molecular Weight 364.708 g/mol
SMILES OC1(N(N=C(C2=CC=C(C=C2)Cl)C1)C(C(=O)OCC)=O)C(F)(F)F