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N-(4-chlorobenzyl)-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 IY5afy6EDGV
InChI InChI=1S/C19H22ClN7O3S/c1-3-25-16(8-9-26-13(2)10-17(24-26)27(29)30)22-23-19(25)31-12-18(28)21-11-14-4-6-15(20)7-5-14/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,21,28)
InChIKey PFQJVJHMCUZTRC-UHFFFAOYSA-N
Mol Weight 463.94 g/mol
Molecular Formula C19H22ClN7O3S
Exact Mass 463.119336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GO3lZtDGw4m
Name N-(4-chlorobenzyl)-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/C19H22ClN7O3S/c1-3-25-16(8-9-26-13(2)10-17(24-26)27(29)30)22-23-19(25)31-12-18(28)21-11-14-4-6-15(20)7-5-14/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,21,28)
InChIKey PFQJVJHMCUZTRC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6817
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/1266144; Labnumber: COL3544; UZI_ID: UZI-006819
Temperature 308 °C