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N-(3-chlorophenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide

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N-(3-chlorophenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
SpectraBase Compound ID CouUGQeqXR6
InChI InChI=1S/C15H17ClIN3O/c1-10-15(17)11(2)20(19-10)8-4-7-14(21)18-13-6-3-5-12(16)9-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,21)
InChIKey APQUALALABIBFE-UHFFFAOYSA-N
Mol Weight 417.68 g/mol
Molecular Formula C15H17ClIN3O
Exact Mass 417.010485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WXUDIROyF1
Name N-(3-Chlorophenyl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.010484878 u
Formula C15H17ClIN3O
InChI InChI=1S/C15H17ClIN3O/c1-10-15(17)11(2)20(19-10)8-4-7-14(21)18-13-6-3-5-12(16)9-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,21)
InChIKey APQUALALABIBFE-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C1(=CC(=CC=C1)Cl)NC(=O)CCCN1N=C(C(=C1C)I)C