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2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide

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2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
SpectraBase Compound ID 5hht53BiVI7
InChI InChI=1S/C17H14Cl3F3N6OS/c1-3-29-15(8-6-24-28(2)14(8)17(21,22)23)26-27-16(29)31-7-13(30)25-12-5-10(19)9(18)4-11(12)20/h4-6H,3,7H2,1-2H3,(H,25,30)
InChIKey XXOQMDGAGDZQBK-UHFFFAOYSA-N
Mol Weight 513.75 g/mol
Molecular Formula C17H14Cl3F3N6OS
Exact Mass 511.996748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BEvLK5sLisv
Name 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-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/C17H14Cl3F3N6OS/c1-3-29-15(8-6-24-28(2)14(8)17(21,22)23)26-27-16(29)31-7-13(30)25-12-5-10(19)9(18)4-11(12)20/h4-6H,3,7H2,1-2H3,(H,25,30)
InChIKey XXOQMDGAGDZQBK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6692
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/1266377; Labnumber: COL3250; UZI_ID: UZI-006694
Temperature 318 °C