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

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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID DkWjcAtCQTG
InChI InChI=1S/C26H25N5O3S/c1-3-34-22-11-7-10-20(24(22)33)16-27-28-23(32)17-35-26-30-29-25(19-8-5-4-6-9-19)31(26)21-14-12-18(2)13-15-21/h4-16,33H,3,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey UNIMLAGMLBWBLB-YUMHPJSZSA-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 9jSA9Doxf9o
Name Acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3-ethoxy-2-hydroxyphenyl)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/c1-3-34-22-11-7-10-20(24(22)33)16-27-28-23(32)17-35-26-30-29-25(19-8-5-4-6-9-19)31(26)21-14-12-18(2)13-15-21/h4-16,33H,3,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey UNIMLAGMLBWBLB-YUMHPJSZSA-N
Molecular Weight 487.578 g/mol
SMILES N(\N=C/C=1C(=C(C=CC1)OCC)O)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)C)=O