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2-({5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
SpectraBase Compound ID C2nq0LGWSOI
InChI InChI=1S/C21H21FN2O3S/c1-21(2,3)15-6-10-17(11-7-15)26-12-19-23-24-20(27-19)28-13-18(25)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey XAGIJJVINDSUEJ-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C21H21FN2O3S
Exact Mass 400.125692 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DuavR9tT4tm
Name 2-({5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
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/C21H21FN2O3S/c1-21(2,3)15-6-10-17(11-7-15)26-12-19-23-24-20(27-19)28-13-18(25)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey XAGIJJVINDSUEJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5551
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: NMR/11221783; Labnumber: 0748; IOH_ID: IOH-005552