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

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2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 1Fqc5jTjc3V
InChI InChI=1S/C22H17Cl2F3N6OS/c1-12-16(10-32(2)31-12)20-29-30-21(33(20)15-6-4-14(23)5-7-15)35-11-19(34)28-18-9-13(22(25,26)27)3-8-17(18)24/h3-10H,11H2,1-2H3,(H,28,34)
InChIKey XAVKOUUUBSHDNZ-UHFFFAOYSA-N
Mol Weight 541.38 g/mol
Molecular Formula C22H17Cl2F3N6OS
Exact Mass 540.05137 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LpjoHN9PJd8
Name 2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]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/C22H17Cl2F3N6OS/c1-12-16(10-32(2)31-12)20-29-30-21(33(20)15-6-4-14(23)5-7-15)35-11-19(34)28-18-9-13(22(25,26)27)3-8-17(18)24/h3-10H,11H2,1-2H3,(H,28,34)
InChIKey XAVKOUUUBSHDNZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11292
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/1024500; Labnumber: NIV0899; UZI_ID: UZI-011294
Temperature 308 °C