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

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
SpectraBase Compound ID Gd1yXEP3lSV
InChI InChI=1S/C22H24N4O2S/c1-5-12-26-21(17-7-10-19(28-4)11-8-17)24-25-22(26)29-14-20(27)23-18-9-6-15(2)16(3)13-18/h5-11,13H,1,12,14H2,2-4H3,(H,23,27)
InChIKey MBHCFVNWEPOTIV-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 HuKx9kLcD2Q
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-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/c1-5-12-26-21(17-7-10-19(28-4)11-8-17)24-25-22(26)29-14-20(27)23-18-9-6-15(2)16(3)13-18/h5-11,13H,1,12,14H2,2-4H3,(H,23,27)
InChIKey MBHCFVNWEPOTIV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4050
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: D98474; Labnumber: GRES-21454; SBI_ID: SBI-004052
Temperature 308 °C