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1H-pyrazole-3,5-dicarboxamide, N~3~,N~5~-bis(3-chloro-4-methoxyphenyl)-1-methyl-

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1H-pyrazole-3,5-dicarboxamide, N~3~,N~5~-bis(3-chloro-4-methoxyphenyl)-1-methyl-
SpectraBase Compound ID BcmIfVAAgbQ
InChI InChI=1S/C20H18Cl2N4O4/c1-26-16(20(28)24-12-5-7-18(30-3)14(22)9-12)10-15(25-26)19(27)23-11-4-6-17(29-2)13(21)8-11/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKey RSUYYMGPEYGBIU-UHFFFAOYSA-N
Mol Weight 449.29 g/mol
Molecular Formula C20H18Cl2N4O4
Exact Mass 448.07051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETgvEEYBQcc
Name 1H-Pyrazole-3,5-dicarboxamide, N~3~,N~5~-bis(3-chloro-4-methoxyphenyl)-1-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.070510472 u
Formula C20H18Cl2N4O4
InChI InChI=1S/C20H18Cl2N4O4/c1-26-16(20(28)24-12-5-7-18(30-3)14(22)9-12)10-15(25-26)19(27)23-11-4-6-17(29-2)13(21)8-11/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKey RSUYYMGPEYGBIU-UHFFFAOYSA-N
Molecular Weight 449.294 g/mol
SMILES N(C=1C=C(C(=CC1)OC)Cl)C(C=1C=C(C(NC=2C=C(Cl)C(=CC2)OC)=O)N(N1)C)=O