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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 1N8aOibpLDs
InChI InChI=1S/C22H16F3N5OS/c23-22(24,25)17-10-4-5-11-18(17)27-19(31)14-32-21-29-28-20(15-7-6-12-26-13-15)30(21)16-8-2-1-3-9-16/h1-13H,14H2,(H,27,31)
InChIKey LFYYRGDHFYQDGX-UHFFFAOYSA-N
Mol Weight 455.46 g/mol
Molecular Formula C22H16F3N5OS
Exact Mass 455.102766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqYffPtwU71
Name 2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(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/C22H16F3N5OS/c23-22(24,25)17-10-4-5-11-18(17)27-19(31)14-32-21-29-28-20(15-7-6-12-26-13-15)30(21)16-8-2-1-3-9-16/h1-13H,14H2,(H,27,31)
InChIKey LFYYRGDHFYQDGX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27363
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: D76286; Labnumber: MOR-8637; SBI_ID: SBI-027367
Temperature 315 °C