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ethyl 3-[4-chloro-3,5-bis(4-fluorophenyl)-1H-pyrazol-1-yl]propanoate

View entire compound with spectra: 2 NMR

ethyl 3-[4-chloro-3,5-bis(4-fluorophenyl)-1H-pyrazol-1-yl]propanoate
SpectraBase Compound ID 8oxoi7ia60Y
InChI InChI=1S/C20H17ClF2N2O2/c1-2-27-17(26)11-12-25-20(14-5-9-16(23)10-6-14)18(21)19(24-25)13-3-7-15(22)8-4-13/h3-10H,2,11-12H2,1H3
InChIKey PEMHAMUKAWMDQJ-UHFFFAOYSA-N
Mol Weight 390.82 g/mol
Molecular Formula C20H17ClF2N2O2
Exact Mass 390.094662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cGT4agN9AM
Name Ethyl 3-[4-chloro-3,5-bis(4-fluorophenyl)-1H-pyrazol-1-yl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 390.094661819 u
Formula C20H17ClF2N2O2
InChI InChI=1S/C20H17ClF2N2O2/c1-2-27-17(26)11-12-25-20(14-5-9-16(23)10-6-14)18(21)19(24-25)13-3-7-15(22)8-4-13/h3-10H,2,11-12H2,1H3
InChIKey PEMHAMUKAWMDQJ-UHFFFAOYSA-N
Molecular Weight 390.818 g/mol
SMILES CCOC(CCN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)F)C1=CC=C(F)C=C1)=O