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N-(3-fluoro-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 73UFtV4bfpQ
InChI InChI=1S/C22H18FN5OS/c1-15-18(23)10-5-11-19(15)25-20(29)14-30-22-27-26-21(16-7-6-12-24-13-16)28(22)17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,25,29)
InChIKey YWCWZGKBADWBKJ-UHFFFAOYSA-N
Mol Weight 419.48 g/mol
Molecular Formula C22H18FN5OS
Exact Mass 419.12161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5wAwF4qiuB
Name N-(3-fluoro-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-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/C22H18FN5OS/c1-15-18(23)10-5-11-19(15)25-20(29)14-30-22-27-26-21(16-7-6-12-24-13-16)28(22)17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,25,29)
InChIKey YWCWZGKBADWBKJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27371
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: D76296; Labnumber: MOR-8648; SBI_ID: SBI-027375
Temperature 308 °C