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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-propoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID B8KVSEWvMsB
InChI InChI=1S/C26H24ClN5O2S/c1-2-16-34-23-14-8-19(9-15-23)17-28-29-24(33)18-35-26-31-30-25(20-10-12-21(27)13-11-20)32(26)22-6-4-3-5-7-22/h3-15,17H,2,16,18H2,1H3,(H,29,33)/b28-17+
InChIKey FTSMBXRKAXZRQE-OGLMXYFKSA-N
Mol Weight 506.02 g/mol
Molecular Formula C26H24ClN5O2S
Exact Mass 505.133924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5uHuQTck5G
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-propoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.133923905 u
Formula C26H24ClN5O2S
InChI InChI=1S/C26H24ClN5O2S/c1-2-16-34-23-14-8-19(9-15-23)17-28-29-24(33)18-35-26-31-30-25(20-10-12-21(27)13-11-20)32(26)22-6-4-3-5-7-22/h3-15,17H,2,16,18H2,1H3,(H,29,33)/b28-17+
InChIKey FTSMBXRKAXZRQE-OGLMXYFKSA-N
Molecular Weight 506.024 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)OCCC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C1=CC=CC=C1)=O