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1H-pyrazole-1-propanamide, N-(5-chloro-2-methylphenyl)-3-[[(5-chloro-2-methylphenyl)amino]carbonyl]-
SpectraBase Compound ID FiC13DTGd7I
InChI InChI=1S/C21H20Cl2N4O2/c1-13-3-5-15(22)11-18(13)24-20(28)8-10-27-9-7-17(26-27)21(29)25-19-12-16(23)6-4-14(19)2/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,28)(H,25,29)
InChIKey MPZAPHHBBJZPQA-UHFFFAOYSA-N
Mol Weight 431.32 g/mol
Molecular Formula C21H20Cl2N4O2
Exact Mass 430.096331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v3FrUEtkK4
Name 1H-Pyrazole-1-propanamide, N-(5-chloro-2-methylphenyl)-3-[[(5-chloro-2-methylphenyl)amino]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.096331298 u
Formula C21H20Cl2N4O2
InChI InChI=1S/C21H20Cl2N4O2/c1-13-3-5-15(22)11-18(13)24-20(28)8-10-27-9-7-17(26-27)21(29)25-19-12-16(23)6-4-14(19)2/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,28)(H,25,29)
InChIKey MPZAPHHBBJZPQA-UHFFFAOYSA-N
Molecular Weight 431.323 g/mol
SMILES N(C=1C=C(C=CC1C)Cl)C(CCN1N=C(C=C1)C(=O)NC1=C(C=CC(=C1)Cl)C)=O