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acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide
SpectraBase Compound ID AFdOfBM7EH7
InChI InChI=1S/C26H25N5O3S/c1-18-8-7-9-19(14-18)16-27-28-24(32)17-35-26-30-29-25(31(26)21-10-5-4-6-11-21)20-12-13-22(33-2)23(15-20)34-3/h4-16H,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey MQFJCFRKZPCVOS-JVWAILMASA-N
Mol Weight 487.58 g/mol
Molecular Formula C26H25N5O3S
Exact Mass 487.167811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 288OThYsONW
Name Acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-methylphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.167810856 u
Formula C26H25N5O3S
InChI InChI=1S/C26H25N5O3S/c1-18-8-7-9-19(14-18)16-27-28-24(32)17-35-26-30-29-25(31(26)21-10-5-4-6-11-21)20-12-13-22(33-2)23(15-20)34-3/h4-16H,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey MQFJCFRKZPCVOS-JVWAILMASA-N
Molecular Weight 487.578 g/mol
SMILES N(\N=C\C=1C=C(C)C=CC1)C(CSC=1N(C(=NN1)C1=CC(OC)=C(C=C1)OC)C1=CC=CC=C1)=O