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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID ClBqgbxzPAC
InChI InChI=1S/C23H28N4O2S/c1-6-27-21(16-10-12-17(13-11-16)23(2,3)4)25-26-22(27)30-15-20(28)24-18-8-7-9-19(14-18)29-5/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKey JMFFWHWRDVEGNE-UHFFFAOYSA-N
Mol Weight 424.56 g/mol
Molecular Formula C23H28N4O2S
Exact Mass 424.193297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KAy4jtsr0a1
Name 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)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/C23H28N4O2S/c1-6-27-21(16-10-12-17(13-11-16)23(2,3)4)25-26-22(27)30-15-20(28)24-18-8-7-9-19(14-18)29-5/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKey JMFFWHWRDVEGNE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4064
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: D98502; Labnumber: GRES-22005; SBI_ID: SBI-004066
Temperature 318 °C