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acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide
SpectraBase Compound ID 29Q4IMuS3uW
InChI InChI=1S/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey KUULRZNSXSWRRJ-OEAKJJBVSA-N
Mol Weight 427.5 g/mol
Molecular Formula C21H22FN5O2S
Exact Mass 427.147824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4cQuVWNmoBA
Name acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)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/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey KUULRZNSXSWRRJ-OEAKJJBVSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5730
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/10259023