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

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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(4-propoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 8vCuDMKvHeb
InChI InChI=1S/C27H27N5O2S/c1-3-17-34-24-15-11-21(12-16-24)18-28-29-25(33)19-35-27-31-30-26(22-13-9-20(2)10-14-22)32(27)23-7-5-4-6-8-23/h4-16,18H,3,17,19H2,1-2H3,(H,29,33)/b28-18+
InChIKey VUAMAFXTQWDAOV-MTDXEUNCSA-N
Mol Weight 485.61 g/mol
Molecular Formula C27H27N5O2S
Exact Mass 485.188546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AO11yC00qPl
Name Acetic acid, [[5-(4-methylphenyl)-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 485.188546301 u
Formula C27H27N5O2S
InChI InChI=1S/C27H27N5O2S/c1-3-17-34-24-15-11-21(12-16-24)18-28-29-25(33)19-35-27-31-30-26(22-13-9-20(2)10-14-22)32(27)23-7-5-4-6-8-23/h4-16,18H,3,17,19H2,1-2H3,(H,29,33)/b28-18+
InChIKey VUAMAFXTQWDAOV-MTDXEUNCSA-N
Molecular Weight 485.606 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)OCCC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C=1C=CC=CC1)=O