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N'-((E)-{3-[(2-chlorobenzyl)oxy]-4-methoxyphenyl}methylidene)-2-(1H-pyrrol-1-yl)benzohydrazide
SpectraBase Compound ID 1Ipt4FP8DSR
InChI InChI=1S/C26H22ClN3O3/c1-32-24-13-12-19(16-25(24)33-18-20-8-2-4-10-22(20)27)17-28-29-26(31)21-9-3-5-11-23(21)30-14-6-7-15-30/h2-17H,18H2,1H3,(H,29,31)/b28-17+
InChIKey MRPFYUUNQHNOCW-OGLMXYFKSA-N
Mol Weight 459.93 g/mol
Molecular Formula C26H22ClN3O3
Exact Mass 459.134969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdGLJ9zqT6v
Name N'-((E)-{3-[(2-chlorobenzyl)oxy]-4-methoxyphenyl}methylidene)-2-(1H-pyrrol-1-yl)benzohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.134969277 u
Formula C26H22ClN3O3
InChI InChI=1S/C26H22ClN3O3/c1-32-24-13-12-19(16-25(24)33-18-20-8-2-4-10-22(20)27)17-28-29-26(31)21-9-3-5-11-23(21)30-14-6-7-15-30/h2-17H,18H2,1H3,(H,29,31)/b28-17+
InChIKey MRPFYUUNQHNOCW-OGLMXYFKSA-N
Molecular Weight 459.933 g/mol
SMILES N(\N=C\C1=CC(OCC2=C(Cl)C=CC=C2)=C(C=C1)OC)C(C=1C(N2C=CC=C2)=CC=CC1)=O