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N-(3-chloro-4-fluorophenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID BhGwwJFp8O6
InChI InChI=1S/C21H15ClFN5OS/c22-17-11-15(8-9-18(17)23)25-19(29)13-30-21-27-26-20(14-5-4-10-24-12-14)28(21)16-6-2-1-3-7-16/h1-12H,13H2,(H,25,29)
InChIKey XTGNBFCQHHPBED-UHFFFAOYSA-N
Mol Weight 439.9 g/mol
Molecular Formula C21H15ClFN5OS
Exact Mass 439.066987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7An00HV8Z1G
Name N-(3-chloro-4-fluorophenyl)-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/C21H15ClFN5OS/c22-17-11-15(8-9-18(17)23)25-19(29)13-30-21-27-26-20(14-5-4-10-24-12-14)28(21)16-6-2-1-3-7-16/h1-12H,13H2,(H,25,29)
InChIKey XTGNBFCQHHPBED-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27374
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: D76301; Labnumber: MOR-8654; SBI_ID: SBI-027378
Temperature 308 °C