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acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-fluorophenyl)methylidene]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)-(2-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID 3SJSypww5bN
InChI InChI=1S/C27H26FN5OS/c1-27(2,3)21-15-13-19(14-16-21)25-31-32-26(33(25)22-10-5-4-6-11-22)35-18-24(34)30-29-17-20-9-7-8-12-23(20)28/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+
InChIKey SGYRYQKREMLYOQ-STBIYBPSSA-N
Mol Weight 487.6 g/mol
Molecular Formula C27H26FN5OS
Exact Mass 487.18421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1cO63GfRgjD
Name acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-fluorophenyl)methylidene]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/C27H26FN5OS/c1-27(2,3)21-15-13-19(14-16-21)25-31-32-26(33(25)22-10-5-4-6-11-22)35-18-24(34)30-29-17-20-9-7-8-12-23(20)28/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+
InChIKey SGYRYQKREMLYOQ-STBIYBPSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5309
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/10249415