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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-(2,4,5-trichlorophenyl)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-(2,4,5-trichlorophenyl)acetamide
SpectraBase Compound ID 7C2aYaFrZ7K
InChI InChI=1S/C18H18Cl3N7O3S/c1-9-17(28(30)31)10(2)27(25-9)5-4-15-23-24-18(26(15)3)32-8-16(29)22-14-7-12(20)11(19)6-13(14)21/h6-7H,4-5,8H2,1-3H3,(H,22,29)
InChIKey VYCIKCRDWOJCRE-UHFFFAOYSA-N
Mol Weight 518.81 g/mol
Molecular Formula C18H18Cl3N7O3S
Exact Mass 517.025742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B15AZahFQTZ
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-(2,4,5-trichlorophenyl)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/C18H18Cl3N7O3S/c1-9-17(28(30)31)10(2)27(25-9)5-4-15-23-24-18(26(15)3)32-8-16(29)22-14-7-12(20)11(19)6-13(14)21/h6-7H,4-5,8H2,1-3H3,(H,22,29)
InChIKey VYCIKCRDWOJCRE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6690
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/1267289; Labnumber: COL3248; UZI_ID: UZI-006692
Temperature 318 °C