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

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID 6ePSQ0mQ1H7
InChI InChI=1S/C21H21ClN4O3S/c1-4-8-26-20(14-6-5-7-15(22)9-14)24-25-21(26)30-13-19(27)23-16-10-17(28-2)12-18(11-16)29-3/h4-7,9-12H,1,8,13H2,2-3H3,(H,23,27)
InChIKey IVJVWABYAIJOOV-UHFFFAOYSA-N
Mol Weight 444.94 g/mol
Molecular Formula C21H21ClN4O3S
Exact Mass 444.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQLGdw4N3uH
Name 2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-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/C21H21ClN4O3S/c1-4-8-26-20(14-6-5-7-15(22)9-14)24-25-21(26)30-13-19(27)23-16-10-17(28-2)12-18(11-16)29-3/h4-7,9-12H,1,8,13H2,2-3H3,(H,23,27)
InChIKey IVJVWABYAIJOOV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11405
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: E06937; Labnumber: GRES-32061; SBI_ID: SBI-011408
Temperature 318 °C