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Acetamide, N-[1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-2-(4-fluorophenoxy)-
SpectraBase Compound ID 5KL9ctaVSgJ
InChI InChI=1S/C18H14Cl2FN3O2/c19-13-2-1-12(16(20)9-13)10-24-8-7-17(23-24)22-18(25)11-26-15-5-3-14(21)4-6-15/h1-9H,10-11H2,(H,22,23,25)
InChIKey ALDAAJWZDGKLJG-UHFFFAOYSA-N
Mol Weight 394.23 g/mol
Molecular Formula C18H14Cl2FN3O2
Exact Mass 393.04471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8P7Buk5YI0H
Name Acetamide, N-[1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-2-(4-fluorophenoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.044710264 u
Formula C18H14Cl2FN3O2
InChI InChI=1S/C18H14Cl2FN3O2/c19-13-2-1-12(16(20)9-13)10-24-8-7-17(23-24)22-18(25)11-26-15-5-3-14(21)4-6-15/h1-9H,10-11H2,(H,22,23,25)
InChIKey ALDAAJWZDGKLJG-UHFFFAOYSA-N
Molecular Weight 394.233 g/mol
SMILES C1=C(CN2N=C(NC(=O)COC3=CC=C(C=C3)F)C=C2)C(Cl)=CC(=C1)Cl