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

View entire compound with spectra: 2 NMR

acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID 93zmN8QBAMw
InChI InChI=1S/C26H24FN5O4S/c1-34-21-13-18(14-22(35-2)24(21)36-3)25-30-31-26(32(25)20-7-5-4-6-8-20)37-16-23(33)29-28-15-17-9-11-19(27)12-10-17/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey CETJIICPBVYAAY-RWPZCVJISA-N
Mol Weight 521.57 g/mol
Molecular Formula C26H24FN5O4S
Exact Mass 521.153304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80dpJHMru7r
Name Acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-fluorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.153303606 u
Formula C26H24FN5O4S
InChI InChI=1S/C26H24FN5O4S/c1-34-21-13-18(14-22(35-2)24(21)36-3)25-30-31-26(32(25)20-7-5-4-6-8-20)37-16-23(33)29-28-15-17-9-11-19(27)12-10-17/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey CETJIICPBVYAAY-RWPZCVJISA-N
Molecular Weight 521.567 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)F)C(CSC=1N(C(=NN1)C=1C=C(OC)C(=C(C1)OC)OC)C=1C=CC=CC1)=O