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N-(4-chlorobenzyl)-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-(4-chlorobenzyl)-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 ALCVLUiXWZP
InChI InChI=1S/C19H22ClN7O3S/c1-12-18(27(29)30)13(2)26(24-12)9-8-16-22-23-19(25(16)3)31-11-17(28)21-10-14-4-6-15(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,28)
InChIKey VMONTUCVUOQOIN-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 CyaxoRntwDi
Name N-(4-chlorobenzyl)-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/C19H22ClN7O3S/c1-12-18(27(29)30)13(2)26(24-12)9-8-16-22-23-19(25(16)3)31-11-17(28)21-10-14-4-6-15(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,28)
InChIKey VMONTUCVUOQOIN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6816
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/1267217; Labnumber: COL3542; UZI_ID: UZI-006818
Temperature 318 °C