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1H-pyrazole-4-carboxamide, 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenyl-
SpectraBase Compound ID jgRt9x1fCq
InChI InChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)13-8-4-3-5-9-13)18(23)20-14-10-6-7-11-15(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKey YCUKSKYSHUWPIQ-UHFFFAOYSA-N
Mol Weight 341.8 g/mol
Molecular Formula C18H16ClN3O2
Exact Mass 341.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ir3zR6JJK5t
Name 1H-Pyrazole-4-carboxamide, 5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.093104465 u
Formula C18H16ClN3O2
InChI InChI=1S/C18H16ClN3O2/c1-12-16(17(19)22(21-12)13-8-4-3-5-9-13)18(23)20-14-10-6-7-11-15(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKey YCUKSKYSHUWPIQ-UHFFFAOYSA-N
Molecular Weight 341.798 g/mol
SMILES N(C(C1=C(N(N=C1C)C1=CC=CC=C1)Cl)=O)C1=C(OC)C=CC=C1