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2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

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2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 5bRGhHg2t7u
InChI InChI=1S/C28H30N4O3S/c1-28(2,3)20-13-11-19(12-14-20)26-30-31-27(32(26)21-9-7-6-8-10-21)36-18-25(33)29-23-16-15-22(34-4)17-24(23)35-5/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey KHUJYSMYFYXWDY-UHFFFAOYSA-N
Mol Weight 502.63 g/mol
Molecular Formula C28H30N4O3S
Exact Mass 502.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtxAjd48EIY
Name 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
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/C28H30N4O3S/c1-28(2,3)20-13-11-19(12-14-20)26-30-31-27(32(26)21-9-7-6-8-10-21)36-18-25(33)29-23-16-15-22(34-4)17-24(23)35-5/h6-17H,18H2,1-5H3,(H,29,33)
InChIKey KHUJYSMYFYXWDY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4912
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: E08358; Labnumber: GRES-36965; SBI_ID: SBI-004914
Temperature 308 °C