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

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2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
SpectraBase Compound ID IByl0iW8XJ3
InChI InChI=1S/C18H18Cl3N7O3S/c1-3-26-15(4-5-27-10(2)6-16(25-27)28(30)31)23-24-18(26)32-9-17(29)22-14-8-12(20)11(19)7-13(14)21/h6-8H,3-5,9H2,1-2H3,(H,22,29)
InChIKey ZRYIZVLFUCDJDP-UHFFFAOYSA-N
Mol Weight 518.81 g/mol
Molecular Formula C18H18Cl3N7O3S
Exact Mass 517.025742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 83YWRgtQPfc
Name 2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)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/C18H18Cl3N7O3S/c1-3-26-15(4-5-27-10(2)6-16(25-27)28(30)31)23-24-18(26)32-9-17(29)22-14-8-12(20)11(19)7-13(14)21/h6-8H,3-5,9H2,1-2H3,(H,22,29)
InChIKey ZRYIZVLFUCDJDP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6662
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/1267178; Labnumber: COL3177; UZI_ID: UZI-006664
Temperature 318 °C