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2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-4-phenylnicotinonitrile

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2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-4-phenylnicotinonitrile
SpectraBase Compound ID 5yM8dUAITpI
InChI InChI=1S/C25H19FN4OS/c1-16-12-17(2)30(29-16)24(31)15-32-25-22(14-27)21(18-6-4-3-5-7-18)13-23(28-25)19-8-10-20(26)11-9-19/h3-13H,15H2,1-2H3
InChIKey AHGNYHMMLLICSS-UHFFFAOYSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H19FN4OS
Exact Mass 442.126361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27DfZBp7tWr
Name 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-(4-fluorophenyl)-4-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/C25H19FN4OS/c1-16-12-17(2)30(29-16)24(31)15-32-25-22(14-27)21(18-6-4-3-5-7-18)13-23(28-25)19-8-10-20(26)11-9-19/h3-13H,15H2,1-2H3
InChIKey AHGNYHMMLLICSS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15536
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: UZI/7105423; UBI_ID: UBI-015539
Temperature 308 °C