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N-(4-ethoxyphenyl)-2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID DG1N2rXEDYF
InChI InChI=1S/C20H25N7O4S/c1-4-25-17(10-11-26-14(3)12-18(24-26)27(29)30)22-23-20(25)32-13-19(28)21-15-6-8-16(9-7-15)31-5-2/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,28)
InChIKey DDEXWJILWADJCO-UHFFFAOYSA-N
Mol Weight 459.53 g/mol
Molecular Formula C20H25N7O4S
Exact Mass 459.168873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 72634gWd3Rf
Name N-(4-ethoxyphenyl)-2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-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/C20H25N7O4S/c1-4-25-17(10-11-26-14(3)12-18(24-26)27(29)30)22-23-20(25)32-13-19(28)21-15-6-8-16(9-7-15)31-5-2/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,28)
InChIKey DDEXWJILWADJCO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6705
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/1267461; Labnumber: COL3268; UZI_ID: UZI-006707
Temperature 318 °C