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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID DNjD8sHcM8M
InChI InChI=1S/C22H24N4O2S/c1-5-13-26-21(17-9-11-18(28-4)12-10-17)24-25-22(26)29-14-19(27)23-20-15(2)7-6-8-16(20)3/h5-12H,1,13-14H2,2-4H3,(H,23,27)
InChIKey KBDCKSLMMDSCRS-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C22H24N4O2S
Exact Mass 408.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpNvTfzlQ09
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)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/C22H24N4O2S/c1-5-13-26-21(17-9-11-18(28-4)12-10-17)24-25-22(26)29-14-19(27)23-20-15(2)7-6-8-16(20)3/h5-12H,1,13-14H2,2-4H3,(H,23,27)
InChIKey KBDCKSLMMDSCRS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4493
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: D99039; Labnumber: GRES-30483; SBI_ID: SBI-004495
Temperature 315 °C