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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID 9zovWY9wdEj
InChI InChI=1S/C20H21ClN4O3S/c1-4-25-19(16-7-5-6-8-17(16)21)23-24-20(25)29-12-18(26)22-13-9-14(27-2)11-15(10-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey XLKMCYNGDLFBRI-UHFFFAOYSA-N
Mol Weight 432.93 g/mol
Molecular Formula C20H21ClN4O3S
Exact Mass 432.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CwC1dDNh0A
Name 2-{[5-(2-chlorophenyl)-4-ethyl-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/C20H21ClN4O3S/c1-4-25-19(16-7-5-6-8-17(16)21)23-24-20(25)29-12-18(26)22-13-9-14(27-2)11-15(10-13)28-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey XLKMCYNGDLFBRI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14574
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: D98715; Labnumber: GRES-25368; SBI_ID: SBI-014577
Temperature 318 °C