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Butanamide, N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-4-[2,4,6-tris(1,1-dimethylpropyl)phenoxy]-
SpectraBase Compound ID 45rv2GHSWvN
InChI InChI=1S/C40H50Cl4N4O3/c1-10-38(4,5)24-18-27(39(6,7)11-2)37(28(19-24)40(8,9)12-3)51-17-13-14-34(49)45-26-15-16-29(42)32(22-26)46-33-23-35(50)48(47-33)36-30(43)20-25(41)21-31(36)44/h15-16,18-22H,10-14,17,23H2,1-9H3,(H,45,49)(H,46,47)
InChIKey JEXXIYVSGBXOAI-UHFFFAOYSA-N
Mol Weight 776.7 g/mol
Molecular Formula C40H50Cl4N4O3
Exact Mass 774.263702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bNzX5PjTU
Name Butanamide, N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-4-[2,4,6-tris(1,1-dimethylpropyl)phenoxy]-
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Formula C40H50Cl4N4O3
InChI InChI=1S/C40H50Cl4N4O3/c1-10-38(4,5)24-18-27(39(6,7)11-2)37(28(19-24)40(8,9)12-3)51-17-13-14-34(49)45-26-15-16-29(42)32(22-26)46-33-23-35(50)48(47-33)36-30(43)20-25(41)21-31(36)44/h15-16,18-22H,10-14,17,23H2,1-9H3,(H,45,49)(H,46,47)
InChIKey JEXXIYVSGBXOAI-UHFFFAOYSA-N
Molecular Weight 776.677 g/mol
SMILES N(C(CCCOc1c(cc(C(CC)(C)C)cc1C(C)(C)CC)C(C)(C)CC)=O)c1ccc(c(c1)NC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl)Cl
SPLASH splash10-08fu-6931120200-ac3b7f32e8808b208295
Source of Spectrum JX-2015-4-1498
Synonyms N-(4-chloro-3-((5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)amino)phenyl)-4-(2,4,6-tri-tert-pentylphenoxy)butanamide N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-4-[2,4,6-tris(2-methylbutan-2-yl)phenoxy]butanamide N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-4-[2,4,6-tris(2-methylbutan-2-yl)phenoxy]butanamide N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-4-[2,4,6-tris(1,1-dimethylpropyl)phenoxy]butanamide N-[4-chloranyl-3-[[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]-4-[2,4,6-tris(2-methylbutan-2-yl)phenoxy]butanamide
Wiley ID 1726881