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

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N-(2,5-dichlorophenyl)-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID AmjvLl8PJsg
InChI InChI=1S/C18H19Cl2N7O3S/c1-10-17(27(29)30)11(2)26(24-10)7-6-15-22-23-18(25(15)3)31-9-16(28)21-14-8-12(19)4-5-13(14)20/h4-5,8H,6-7,9H2,1-3H3,(H,21,28)
InChIKey YITWBIKPKIVNNT-UHFFFAOYSA-N
Mol Weight 484.36 g/mol
Molecular Formula C18H19Cl2N7O3S
Exact Mass 483.064714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2oh0VyA2yrD
Name N-(2,5-dichlorophenyl)-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)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/C18H19Cl2N7O3S/c1-10-17(27(29)30)11(2)26(24-10)7-6-15-22-23-18(25(15)3)31-9-16(28)21-14-8-12(19)4-5-13(14)20/h4-5,8H,6-7,9H2,1-3H3,(H,21,28)
InChIKey YITWBIKPKIVNNT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6822
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/1267320; Labnumber: COL3550; UZI_ID: UZI-006824
Temperature 318 °C