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

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2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
SpectraBase Compound ID CLTPa1inFwK
InChI InChI=1S/C20H25N7O4S/c1-5-31-16-8-6-15(7-9-16)21-18(28)12-32-20-23-22-17(25(20)4)10-11-26-14(3)19(27(29)30)13(2)24-26/h6-9H,5,10-12H2,1-4H3,(H,21,28)
InChIKey SBSOHWVVCRKXST-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 L7EKuFjXeVB
Name 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)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/c1-5-31-16-8-6-15(7-9-16)21-18(28)12-32-20-23-22-17(25(20)4)10-11-26-14(3)19(27(29)30)13(2)24-26/h6-9H,5,10-12H2,1-4H3,(H,21,28)
InChIKey SBSOHWVVCRKXST-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6701
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/1266258; Labnumber: COL3264; UZI_ID: UZI-006703
Temperature 318 °C