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

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N-(4-chloro-3-nitrophenyl)-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID EoqKMT6Ye2f
InChI InChI=1S/C17H15ClF3N7O3S/c1-3-27-15(11-7-13(17(19,20)21)26(2)25-11)23-24-16(27)32-8-14(29)22-9-4-5-10(18)12(6-9)28(30)31/h4-7H,3,8H2,1-2H3,(H,22,29)
InChIKey OTGXFFPGTIAYIX-UHFFFAOYSA-N
Mol Weight 489.86 g/mol
Molecular Formula C17H15ClF3N7O3S
Exact Mass 489.059771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3AET4BkjoIp
Name N-(4-chloro-3-nitrophenyl)-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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/C17H15ClF3N7O3S/c1-3-27-15(11-7-13(17(19,20)21)26(2)25-11)23-24-16(27)32-8-14(29)22-9-4-5-10(18)12(6-9)28(30)31/h4-7H,3,8H2,1-2H3,(H,22,29)
InChIKey OTGXFFPGTIAYIX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6698
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/1267601; Labnumber: COL3260; UZI_ID: UZI-006700
Temperature 318 °C