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3-Pyridinecarboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-
SpectraBase Compound ID 6rFl93eZqWk
InChI InChI=1S/C17H15ClN4O/c18-16-10-21-22(12-16)11-14-5-3-13(4-6-14)8-20-17(23)15-2-1-7-19-9-15/h1-7,9-10,12H,8,11H2,(H,20,23)
InChIKey QPKLXGGMUGUSPC-UHFFFAOYSA-N
Mol Weight 326.79 g/mol
Molecular Formula C17H15ClN4O
Exact Mass 326.093439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50KtMYko5Q5
Name 3-Pyridinecarboxamide, N-[[4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.093438818 u
Formula C17H15ClN4O
InChI InChI=1S/C17H15ClN4O/c18-16-10-21-22(12-16)11-14-5-3-13(4-6-14)8-20-17(23)15-2-1-7-19-9-15/h1-7,9-10,12H,8,11H2,(H,20,23)
InChIKey QPKLXGGMUGUSPC-UHFFFAOYSA-N
Molecular Weight 326.787 g/mol
SMILES C=1C=NC=C(C(NCC2=CC=C(CN3N=CC(=C3)Cl)C=C2)=O)C1