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acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazide
SpectraBase Compound ID FDnEfgrrm1V
InChI InChI=1S/C31H36N6O2S/c1-6-36(7-2)26-18-15-23(27(38)19-26)20-32-33-28(39)21-40-30-35-34-29(37(30)25-11-9-8-10-12-25)22-13-16-24(17-14-22)31(3,4)5/h8-20,38H,6-7,21H2,1-5H3,(H,33,39)/b32-20-
InChIKey HFQCAEUACATLEK-RGXNXFOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C31H36N6O2S
Exact Mass 556.262046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQeCSWNmGtg
Name Acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.262045595 u
Formula C31H36N6O2S
InChI InChI=1S/C31H36N6O2S/c1-6-36(7-2)26-18-15-23(27(38)19-26)20-32-33-28(39)21-40-30-35-34-29(37(30)25-11-9-8-10-12-25)22-13-16-24(17-14-22)31(3,4)5/h8-20,38H,6-7,21H2,1-5H3,(H,33,39)/b32-20-
InChIKey HFQCAEUACATLEK-RGXNXFOYSA-N
Molecular Weight 556.729 g/mol
SMILES N(\N=C/C1=CC=C(C=C1O)N(CC)CC)C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)C=1C=CC=CC1)=O