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

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N-(4-chloro-3-nitrophenyl)-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 3jQm5H8YDpd
InChI InChI=1S/C18H19ClN8O5S/c1-3-24-15(6-7-25-11(2)8-16(23-25)27(31)32)21-22-18(24)33-10-17(28)20-12-4-5-13(19)14(9-12)26(29)30/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,20,28)
InChIKey BABADHRDHYOFPU-UHFFFAOYSA-N
Mol Weight 494.91 g/mol
Molecular Formula C18H19ClN8O5S
Exact Mass 494.088765 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID gORVq0cyPj
Name N-(4-chloro-3-nitrophenyl)-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/C18H19ClN8O5S/c1-3-24-15(6-7-25-11(2)8-16(23-25)27(31)32)21-22-18(24)33-10-17(28)20-12-4-5-13(19)14(9-12)26(29)30/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,20,28)
InChIKey BABADHRDHYOFPU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6694
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/1267310; Labnumber: COL3253; UZI_ID: UZI-006696
Temperature 306 °C