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N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 1 NMR

N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID K4CriaT6PMZ
InChI InChI=1S/C21H17Cl2FN6OS/c1-12-16(10-29(2)28-12)20-26-27-21(30(20)15-6-3-13(22)4-7-15)32-11-19(31)25-14-5-8-18(24)17(23)9-14/h3-10H,11H2,1-2H3,(H,25,31)
InChIKey NVPGWBLMOBJXLZ-UHFFFAOYSA-N
Mol Weight 491.37 g/mol
Molecular Formula C21H17Cl2FN6OS
Exact Mass 490.054564 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B1aTLdEQAY0
Name N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-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/C21H17Cl2FN6OS/c1-12-16(10-29(2)28-12)20-26-27-21(30(20)15-6-3-13(22)4-7-15)32-11-19(31)25-14-5-8-18(24)17(23)9-14/h3-10H,11H2,1-2H3,(H,25,31)
InChIKey NVPGWBLMOBJXLZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11294
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/1023636; Labnumber: NIV0906; UZI_ID: UZI-011296
Temperature 308 °C