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acetic acid, [[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID GRIwwWnagXP
InChI InChI=1S/C24H22N4O3S/c1-31-22-13-18(11-12-21(22)29)14-25-27-23(30)16-32-24-26-19-9-5-6-10-20(19)28(24)15-17-7-3-2-4-8-17/h2-14,29H,15-16H2,1H3,(H,27,30)/b25-14+
InChIKey XRMCJSBRLVQQRJ-AFUMVMLFSA-N
Mol Weight 446.53 g/mol
Molecular Formula C24H22N4O3S
Exact Mass 446.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYvx7nEu3hh
Name Acetic acid, [[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.141261755 u
Formula C24H22N4O3S
InChI InChI=1S/C24H22N4O3S/c1-31-22-13-18(11-12-21(22)29)14-25-27-23(30)16-32-24-26-19-9-5-6-10-20(19)28(24)15-17-7-3-2-4-8-17/h2-14,29H,15-16H2,1H3,(H,27,30)/b25-14+
InChIKey XRMCJSBRLVQQRJ-AFUMVMLFSA-N
Molecular Weight 446.525 g/mol
SMILES N(\N=C\C1=CC=C(C(=C1)OC)O)C(CSC=1N(C=2C=CC=CC2N1)CC1=CC=CC=C1)=O