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2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorobenzyl)acetamide
SpectraBase Compound ID A6KhXTKNcWK
InChI InChI=1S/C19H20BrClN4OS2/c1-3-15-14(20)9-16(28-15)18-23-24-19(25(18)4-2)27-11-17(26)22-10-12-5-7-13(21)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,22,26)
InChIKey VMOGLPSRVPBNGR-UHFFFAOYSA-N
Mol Weight 499.87 g/mol
Molecular Formula C19H20BrClN4OS2
Exact Mass 497.995044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BZKiFMG3DCu
Name 2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorobenzyl)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/C19H20BrClN4OS2/c1-3-15-14(20)9-16(28-15)18-23-24-19(25(18)4-2)27-11-17(26)22-10-12-5-7-13(21)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,22,26)
InChIKey VMOGLPSRVPBNGR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6837
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: UZI/1266383; Labnumber: COL3569; UZI_ID: UZI-006839
Temperature 308 °C