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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
SpectraBase Compound ID KZVxpgEQ7dH
InChI InChI=1S/C29H28F3N5O2S/c1-28(2,3)21-11-7-20(8-12-21)26-35-36-27(37(26)23-13-15-24(39-4)16-14-23)40-18-25(38)34-33-17-19-5-9-22(10-6-19)29(30,31)32/h5-17H,18H2,1-4H3,(H,34,38)/b33-17+
InChIKey AKFRDHMCTIWDAR-ATZGPIRCSA-N
Mol Weight 567.63 g/mol
Molecular Formula C29H28F3N5O2S
Exact Mass 567.191581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FAvaO84pOPp
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
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/C29H28F3N5O2S/c1-28(2,3)21-11-7-20(8-12-21)26-35-36-27(37(26)23-13-15-24(39-4)16-14-23)40-18-25(38)34-33-17-19-5-9-22(10-6-19)29(30,31)32/h5-17H,18H2,1-4H3,(H,34,38)/b33-17+
InChIKey AKFRDHMCTIWDAR-ATZGPIRCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6693
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: D23970; Labnumber: GRES-01694; SBI_ID: SBI-006696
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature 318 °C