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N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-[2-(3,4-dimethoxybenzyl)-1H-benzimidazol-1-yl]acetohydrazide

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N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-[2-(3,4-dimethoxybenzyl)-1H-benzimidazol-1-yl]acetohydrazide
SpectraBase Compound ID LMevqmJpLLo
InChI InChI=1S/C29H27ClN6O3/c1-19-22(29(30)36(34-19)21-9-5-4-6-10-21)17-31-33-28(37)18-35-24-12-8-7-11-23(24)32-27(35)16-20-13-14-25(38-2)26(15-20)39-3/h4-15,17H,16,18H2,1-3H3,(H,33,37)/b31-17+
InChIKey FVIPIACBHNYLPK-KBVAKVRCSA-N
Mol Weight 543.03 g/mol
Molecular Formula C29H27ClN6O3
Exact Mass 542.183316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZzDf75oTBO
Name N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-[2-(3,4-dimethoxybenzyl)-1H-benzimidazol-1-yl]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.183316450 u
Formula C29H27ClN6O3
InChI InChI=1S/C29H27ClN6O3/c1-19-22(29(30)36(34-19)21-9-5-4-6-10-21)17-31-33-28(37)18-35-24-12-8-7-11-23(24)32-27(35)16-20-13-14-25(38-2)26(15-20)39-3/h4-15,17H,16,18H2,1-3H3,(H,33,37)/b31-17+
InChIKey FVIPIACBHNYLPK-KBVAKVRCSA-N
Molecular Weight 543.027 g/mol
SMILES N(C(CN1C(=NC2=C1C=CC=C2)CC=1C=C(OC)C(=CC1)OC)=O)\N=C\C1=C(N(N=C1C)C1=CC=CC=C1)Cl