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3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide

View entire compound with spectra: 2 NMR

3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
SpectraBase Compound ID JIAswu7wpuF
InChI InChI=1S/C44H43Cl3N6O4/c1-7-43(3,4)28-19-20-36(32(22-28)44(5,6)8-2)57-25-37(54)48-30-16-11-15-27(21-30)41(55)49-40-38(51-50-35-18-12-14-26-13-9-10-17-31(26)35)42(56)53(52-40)39-33(46)23-29(45)24-34(39)47/h9-24,56H,7-8,25H2,1-6H3,(H,48,54)(H,49,52,55)/b51-50+
InChIKey UDEQOLHDZWWYMO-VPWQGRENSA-N
Mol Weight 826.2 g/mol
Molecular Formula C44H43Cl3N6O4
Exact Mass 824.241137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lebt3MvyoxH
Name 3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 824.241136985 u
Formula C44H43Cl3N6O4
InChI InChI=1S/C44H43Cl3N6O4/c1-7-43(3,4)28-19-20-36(32(22-28)44(5,6)8-2)57-25-37(54)48-30-16-11-15-27(21-30)41(55)49-40-38(51-50-35-18-12-14-26-13-9-10-17-31(26)35)42(56)53(52-40)39-33(46)23-29(45)24-34(39)47/h9-24,56H,7-8,25H2,1-6H3,(H,48,54)(H,49,52,55)/b51-50+
InChIKey UDEQOLHDZWWYMO-VPWQGRENSA-N
Molecular Weight 826.225 g/mol
SMILES N(C(C=1C=C(C=CC1)NC(COC1=CC=C(C=C1C(CC)(C)C)C(CC)(C)C)=O)=O)C1=NN(C(=C1\N=N\C1=CC=CC2=C1C=CC=C2)O)C1=C(C=C(C=C1Cl)Cl)Cl