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Urea, 1-(3-chlorobenzoyl)-3-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-
SpectraBase Compound ID 5qSBVNoBzUz
InChI InChI=1S/C18H14ClFN4O2/c1-11-8-16(24(23-11)15-7-3-6-14(20)10-15)21-18(26)22-17(25)12-4-2-5-13(19)9-12/h2-10H,1H3,(H2,21,22,25,26)
InChIKey LYGWFAOWSHIYQB-UHFFFAOYSA-N
Mol Weight 372.79 g/mol
Molecular Formula C18H14ClFN4O2
Exact Mass 372.078932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gzCokkgstr
Name Urea, 1-(3-chlorobenzoyl)-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 372.078931568 u
Formula C18H14ClFN4O2
InChI InChI=1S/C18H14ClFN4O2/c1-11-8-16(24(23-11)15-7-3-6-14(20)10-15)21-18(26)22-17(25)12-4-2-5-13(19)9-12/h2-10H,1H3,(H2,21,22,25,26)
InChIKey LYGWFAOWSHIYQB-UHFFFAOYSA-N
Molecular Weight 372.787 g/mol
SMILES C1(=CC(Cl)=CC=C1)C(NC(=O)NC=1N(C2=CC(=CC=C2)F)N=C(C1)C)=O