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Urea, 1-(3-chlorophenyl)-3-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-
SpectraBase Compound ID IWm7EzoqsAr
InChI InChI=1S/C17H14ClFN4O/c1-11-8-16(23(22-11)15-7-3-5-13(19)10-15)21-17(24)20-14-6-2-4-12(18)9-14/h2-10H,1H3,(H2,20,21,24)
InChIKey JDCHTVWRIFNTPK-UHFFFAOYSA-N
Mol Weight 344.78 g/mol
Molecular Formula C17H14ClFN4O
Exact Mass 344.084017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzeYhdTCN03
Name Urea, 1-(3-chlorophenyl)-3-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.084016949 u
Formula C17H14ClFN4O
InChI InChI=1S/C17H14ClFN4O/c1-11-8-16(23(22-11)15-7-3-5-13(19)10-15)21-17(24)20-14-6-2-4-12(18)9-14/h2-10H,1H3,(H2,20,21,24)
InChIKey JDCHTVWRIFNTPK-UHFFFAOYSA-N
Molecular Weight 344.777 g/mol
SMILES C1(=CC(Cl)=CC=C1)NC(NC=1N(C2=CC=CC(=C2)F)N=C(C1)C)=O