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4-chloro-1-cyclopentyl-3,5-bis(4-fluorophenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-1-cyclopentyl-3,5-bis(4-fluorophenyl)-1H-pyrazole
SpectraBase Compound ID 2fCE8uGLvl4
InChI InChI=1S/C20H17ClF2N2/c21-18-19(13-5-9-15(22)10-6-13)24-25(17-3-1-2-4-17)20(18)14-7-11-16(23)12-8-14/h5-12,17H,1-4H2
InChIKey UHFUJHINSCGAQN-UHFFFAOYSA-N
Mol Weight 358.82 g/mol
Molecular Formula C20H17ClF2N2
Exact Mass 358.104833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HX7hhhKhnC
Name 4-Chloro-1-cyclopentyl-3,5-bis(4-fluorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.104832581 u
Formula C20H17ClF2N2
InChI InChI=1S/C20H17ClF2N2/c21-18-19(13-5-9-15(22)10-6-13)24-25(17-3-1-2-4-17)20(18)14-7-11-16(23)12-8-14/h5-12,17H,1-4H2
InChIKey UHFUJHINSCGAQN-UHFFFAOYSA-N
Molecular Weight 358.820 g/mol
SMILES C1C(CCC1)N1C(=C(Cl)C(=N1)C=1C=CC(=CC1)F)C1=CC=C(F)C=C1