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N-(4-chloro-3-nitrophenyl)-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-chloro-3-nitrophenyl)-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 1pR0B1AP6EW
InChI InChI=1S/C18H19ClN8O5S/c1-10-17(27(31)32)11(2)25(23-10)7-6-15-21-22-18(24(15)3)33-9-16(28)20-12-4-5-13(19)14(8-12)26(29)30/h4-5,8H,6-7,9H2,1-3H3,(H,20,28)
InChIKey PGLLWFYLQAAHPD-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 AyubIIWOl40
Name N-(4-chloro-3-nitrophenyl)-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/C18H19ClN8O5S/c1-10-17(27(31)32)11(2)25(23-10)7-6-15-21-22-18(24(15)3)33-9-16(28)20-12-4-5-13(19)14(8-12)26(29)30/h4-5,8H,6-7,9H2,1-3H3,(H,20,28)
InChIKey PGLLWFYLQAAHPD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6693
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/1265391; Labnumber: COL3251; UZI_ID: UZI-006695
Temperature 306 °C