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Tert-butyl 2-{1-[3-(2,4-dichlorophenyl)-5-hydroxy-1-phenyl-1H-pyrazol-4-yl]ethylidene}hydrazinecarboxylate
SpectraBase Compound ID 2CPqKDvB2Xk
InChI InChI=1S/C22H22Cl2N4O3/c1-13(25-26-21(30)31-22(2,3)4)18-19(16-11-10-14(23)12-17(16)24)27-28(20(18)29)15-8-6-5-7-9-15/h5-12,29H,1-4H3,(H,26,30)
InChIKey SLLOTWLELMUGCB-UHFFFAOYSA-N
Mol Weight 461.35 g/mol
Molecular Formula C22H22Cl2N4O3
Exact Mass 460.106896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 625UF97tZY6
Name Tert-butyl 2-{1-[3-(2,4-dichlorophenyl)-5-hydroxy-1-phenyl-1H-pyrazol-4-yl]ethylidene}hydrazinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.106895981 u
Formula C22H22Cl2N4O3
InChI InChI=1S/C22H22Cl2N4O3/c1-13(25-26-21(30)31-22(2,3)4)18-19(16-11-10-14(23)12-17(16)24)27-28(20(18)29)15-8-6-5-7-9-15/h5-12,29H,1-4H3,(H,26,30)
InChIKey SLLOTWLELMUGCB-UHFFFAOYSA-N
Molecular Weight 461.349 g/mol
SMILES C\C(=N/NC(=O)OC(C)(C)C)C=1C(=NN(C1O)C=1C=CC=CC1)C=1C(=CC(=CC1)Cl)Cl