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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]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)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylidene]hydrazide
SpectraBase Compound ID M7sCChLqqM
InChI InChI=1S/C32H37N5O2S/c1-21-13-15-23(16-14-21)29-35-36-30(37(29)24-11-9-8-10-12-24)40-20-27(38)34-33-19-22-17-25(31(2,3)4)28(39)26(18-22)32(5,6)7/h8-19,39H,20H2,1-7H3,(H,34,38)/b33-19+
InChIKey LXFUGOLHOKLWBI-HNSNBQBZSA-N
Mol Weight 555.7 g/mol
Molecular Formula C32H37N5O2S
Exact Mass 555.266797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPHOhILXK3I
Name Acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.266796623 u
Formula C32H37N5O2S
InChI InChI=1S/C32H37N5O2S/c1-21-13-15-23(16-14-21)29-35-36-30(37(29)24-11-9-8-10-12-24)40-20-27(38)34-33-19-22-17-25(31(2,3)4)28(39)26(18-22)32(5,6)7/h8-19,39H,20H2,1-7H3,(H,34,38)/b33-19+
InChIKey LXFUGOLHOKLWBI-HNSNBQBZSA-N
Molecular Weight 555.741 g/mol
SMILES N(\N=C\C=1C=C(C(=C(C1)C(C)(C)C)O)C(C)(C)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC=CC1)=O