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N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-fluorobenzamide

View entire compound with spectra: 2 NMR

N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-fluorobenzamide
SpectraBase Compound ID EKkCHb6GI80
InChI InChI=1S/C19H16Cl2FN3O/c1-11-18(23-19(26)15-5-3-4-6-17(15)22)12(2)25(24-11)10-13-7-8-14(20)9-16(13)21/h3-9H,10H2,1-2H3,(H,23,26)
InChIKey CKXICPSKIYSQET-UHFFFAOYSA-N
Mol Weight 392.26 g/mol
Molecular Formula C19H16Cl2FN3O
Exact Mass 391.065446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uiPTZhLMzZ
Name N-[1-(2,4-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-fluorobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.065445709 u
Formula C19H16Cl2FN3O
InChI InChI=1S/C19H16Cl2FN3O/c1-11-18(23-19(26)15-5-3-4-6-17(15)22)12(2)25(24-11)10-13-7-8-14(20)9-16(13)21/h3-9H,10H2,1-2H3,(H,23,26)
InChIKey CKXICPSKIYSQET-UHFFFAOYSA-N
Molecular Weight 392.261 g/mol
SMILES N(C1=C(N(CC=2C(=CC(=CC2)Cl)Cl)N=C1C)C)C(C1=C(F)C=CC=C1)=O