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

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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3-methoxyphenyl]methylidene]hydrazide
SpectraBase Compound ID 4zL6JcauiLi
InChI InChI=1S/C26H22BrN5O4S/c1-17(33)36-22-13-8-18(14-23(22)35-2)15-28-29-24(34)16-37-26-31-30-25(19-9-11-20(27)12-10-19)32(26)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,29,34)/b28-15+
InChIKey HATQTSABOLWLMN-RWPZCVJISA-N
Mol Weight 580.46 g/mol
Molecular Formula C26H22BrN5O4S
Exact Mass 579.057588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PlPNptlzR8
Name Acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3-methoxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.057588378 u
Formula C26H22BrN5O4S
InChI InChI=1S/C26H22BrN5O4S/c1-17(33)36-22-13-8-18(14-23(22)35-2)15-28-29-24(34)16-37-26-31-30-25(19-9-11-20(27)12-10-19)32(26)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,29,34)/b28-15+
InChIKey HATQTSABOLWLMN-RWPZCVJISA-N
Molecular Weight 580.457 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OC(=O)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Br)C=1C=CC=CC1)=O