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2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylnicotinonitrile

View entire compound with spectra: 1 NMR

2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylnicotinonitrile
SpectraBase Compound ID 5mDTVZGRtR7
InChI InChI=1S/C24H21FN2OS/c1-24(2,3)22(28)15-29-23-20(14-26)19(16-9-11-18(25)12-10-16)13-21(27-23)17-7-5-4-6-8-17/h4-13H,15H2,1-3H3
InChIKey JZRSEUCDOPIFPD-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H21FN2OS
Exact Mass 404.135863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GybkNg2G5wr
Name 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-(4-fluorophenyl)-6-phenylnicotinonitrile
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/C24H21FN2OS/c1-24(2,3)22(28)15-29-23-20(14-26)19(16-9-11-18(25)12-10-16)13-21(27-23)17-7-5-4-6-8-17/h4-13H,15H2,1-3H3
InChIKey JZRSEUCDOPIFPD-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3828
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: TSH/5636852; IOH_ID: IOH-003829
Temperature 297 °C