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acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 4Chr4V7n8W2
InChI InChI=1S/C25H23N5O4S/c1-33-20-13-17(14-21(34-2)23(20)32)15-26-27-22(31)16-35-25-29-28-24(18-9-5-3-6-10-18)30(25)19-11-7-4-8-12-19/h3-15,32H,16H2,1-2H3,(H,27,31)/b26-15+
InChIKey ABTQTQXQEMJDAM-CVKSISIWSA-N
Mol Weight 489.55 g/mol
Molecular Formula C25H23N5O4S
Exact Mass 489.147075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTYuUmO0e6F
Name Acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.147075411 u
Formula C25H23N5O4S
InChI InChI=1S/C25H23N5O4S/c1-33-20-13-17(14-21(34-2)23(20)32)15-26-27-22(31)16-35-25-29-28-24(18-9-5-3-6-10-18)30(25)19-11-7-4-8-12-19/h3-15,32H,16H2,1-2H3,(H,27,31)/b26-15+
InChIKey ABTQTQXQEMJDAM-CVKSISIWSA-N
Molecular Weight 489.550 g/mol
SMILES N(\N=C\C=1C=C(C(=C(C1)OC)O)OC)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C=1C=CC=CC1)=O