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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)benzyl]acetamide
SpectraBase Compound ID 5p5m6B4INrQ
InChI InChI=1S/C23H18F3N5OS/c24-23(25,26)18-8-4-6-16(12-18)13-28-20(32)15-33-22-30-29-21(17-7-5-11-27-14-17)31(22)19-9-2-1-3-10-19/h1-12,14H,13,15H2,(H,28,32)
InChIKey YCLQLRYAKNAOFG-UHFFFAOYSA-N
Mol Weight 469.49 g/mol
Molecular Formula C23H18F3N5OS
Exact Mass 469.118416 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bnkl0t3tl3k
Name 2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)benzyl]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/C23H18F3N5OS/c24-23(25,26)18-8-4-6-16(12-18)13-28-20(32)15-33-22-30-29-21(17-7-5-11-27-14-17)31(22)19-9-2-1-3-10-19/h1-12,14H,13,15H2,(H,28,32)
InChIKey YCLQLRYAKNAOFG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7881
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: D48979; Labnumber: MOR-8629; SBI_ID: SBI-007884
Temperature 308 °C