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acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-bromophenyl)ethylidene]hydrazide

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acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-bromophenyl)ethylidene]hydrazide
SpectraBase Compound ID Izlchaee9qK
InChI InChI=1S/C28H28BrN5OS/c1-19(20-12-16-23(29)17-13-20)30-31-25(35)18-36-27-33-32-26(34(27)24-8-6-5-7-9-24)21-10-14-22(15-11-21)28(2,3)4/h5-17H,18H2,1-4H3,(H,31,35)/b30-19+
InChIKey BOBKKASWDWHSNN-NDZAJKAJSA-N
Mol Weight 562.53 g/mol
Molecular Formula C28H28BrN5OS
Exact Mass 561.119795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B2DxYfL5Ffi
Name acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-bromophenyl)ethylidene]hydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H28BrN5OS/c1-19(20-12-16-23(29)17-13-20)30-31-25(35)18-36-27-33-32-26(34(27)24-8-6-5-7-9-24)21-10-14-22(15-11-21)28(2,3)4/h5-17H,18H2,1-4H3,(H,31,35)/b30-19+
InChIKey BOBKKASWDWHSNN-NDZAJKAJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5308
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10249414