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2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide
SpectraBase Compound ID IXDyqBIbJwy
InChI InChI=1S/C16H11Br2Cl3N4OS2/c1-2-25-15(12-3-7(17)14(18)28-12)23-24-16(25)27-6-13(26)22-11-5-9(20)8(19)4-10(11)21/h3-5H,2,6H2,1H3,(H,22,26)
InChIKey JCEWCTQIHUZHNN-UHFFFAOYSA-N
Mol Weight 605.58 g/mol
Molecular Formula C16H11Br2Cl3N4OS2
Exact Mass 601.780662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EautOLwXIJY
Name 2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)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/C16H11Br2Cl3N4OS2/c1-2-25-15(12-3-7(17)14(18)28-12)23-24-16(25)27-6-13(26)22-11-5-9(20)8(19)4-10(11)21/h3-5H,2,6H2,1H3,(H,22,26)
InChIKey JCEWCTQIHUZHNN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6691
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/1266837; Labnumber: COL3249; UZI_ID: UZI-006693
Temperature 318 °C