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Benzamide, N-[1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-4-fluoro-
SpectraBase Compound ID 3AI65DmBIgs
InChI InChI=1S/C17H12Cl2FN3O/c18-13-4-1-12(15(19)9-13)10-23-8-7-16(22-23)21-17(24)11-2-5-14(20)6-3-11/h1-9H,10H2,(H,21,22,24)
InChIKey RZMIIIHNFYNUAB-UHFFFAOYSA-N
Mol Weight 364.21 g/mol
Molecular Formula C17H12Cl2FN3O
Exact Mass 363.034146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jmDDamEyA1
Name Benzamide, N-[1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-4-fluoro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.034145580 u
Formula C17H12Cl2FN3O
InChI InChI=1S/C17H12Cl2FN3O/c18-13-4-1-12(15(19)9-13)10-23-8-7-16(22-23)21-17(24)11-2-5-14(20)6-3-11/h1-9H,10H2,(H,21,22,24)
InChIKey RZMIIIHNFYNUAB-UHFFFAOYSA-N
Molecular Weight 364.207 g/mol
SMILES C1=C(C=CC(=C1)F)C(NC1=NN(CC2=CC=C(C=C2Cl)Cl)C=C1)=O