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

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3-methoxyphenyl]methylidene]hydrazide
SpectraBase Compound ID 2VXP0gspBr
InChI InChI=1S/C27H25N5O4S/c1-18-9-12-21(13-10-18)26-30-31-27(32(26)22-7-5-4-6-8-22)37-17-25(34)29-28-16-20-11-14-23(36-19(2)33)24(15-20)35-3/h4-16H,17H2,1-3H3,(H,29,34)/b28-16+
InChIKey LHXXMXVXWZTZJR-LQKURTRISA-N
Mol Weight 515.59 g/mol
Molecular Formula C27H25N5O4S
Exact Mass 515.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmJZdXA2vnW
Name Acetic acid, [[5-(4-methylphenyl)-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 515.162725475 u
Formula C27H25N5O4S
InChI InChI=1S/C27H25N5O4S/c1-18-9-12-21(13-10-18)26-30-31-27(32(26)22-7-5-4-6-8-22)37-17-25(34)29-28-16-20-11-14-23(36-19(2)33)24(15-20)35-3/h4-16H,17H2,1-3H3,(H,29,34)/b28-16+
InChIKey LHXXMXVXWZTZJR-LQKURTRISA-N
Molecular Weight 515.588 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OC(=O)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC=CC1)=O