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(2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-2-propenamide

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(2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-2-propenamide
SpectraBase Compound ID 5lvRAIunCe5
InChI InChI=1S/C27H20Cl2N4O2/c1-35-23-10-7-19(8-11-23)26-21(17-33(32-26)16-18-5-3-2-4-6-18)13-20(15-30)27(34)31-25-14-22(28)9-12-24(25)29/h2-14,17H,16H2,1H3,(H,31,34)/b20-13+
InChIKey WTVJUKKJMOETQD-DEDYPNTBSA-N
Mol Weight 503.39 g/mol
Molecular Formula C27H20Cl2N4O2
Exact Mass 502.096331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85A7UoPck9y
Name (2E)-3-[1-Benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.096331298 u
Formula C27H20Cl2N4O2
InChI InChI=1S/C27H20Cl2N4O2/c1-35-23-10-7-19(8-11-23)26-21(17-33(32-26)16-18-5-3-2-4-6-18)13-20(15-30)27(34)31-25-14-22(28)9-12-24(25)29/h2-14,17H,16H2,1H3,(H,31,34)/b20-13+
InChIKey WTVJUKKJMOETQD-DEDYPNTBSA-N
Molecular Weight 503.389 g/mol
SMILES N(C(\C(=C\C=1C(=NN(C1)CC=1C=CC=CC1)C1=CC=C(C=C1)OC)C#N)=O)C1=CC(Cl)=CC=C1Cl