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3-pyridinecarbonitrile, 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)-
SpectraBase Compound ID 2aIPz9W1dej
InChI InChI=1S/C21H14F4N2OS2/c22-14-7-5-13(6-8-14)18(28)3-1-10-30-20-15(12-26)16(21(23,24)25)11-17(27-20)19-4-2-9-29-19/h2,4-9,11H,1,3,10H2
InChIKey CJOGIXSAOUROEC-UHFFFAOYSA-N
Mol Weight 450.47 g/mol
Molecular Formula C21H14F4N2OS2
Exact Mass 450.048368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQ20IN8Jt3F
Name 3-pyridinecarbonitrile, 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)-
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/C21H14F4N2OS2/c22-14-7-5-13(6-8-14)18(28)3-1-10-30-20-15(12-26)16(21(23,24)25)11-17(27-20)19-4-2-9-29-19/h2,4-9,11H,1,3,10H2
InChIKey CJOGIXSAOUROEC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1634
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: F12057; Labnumber: GOR-S1034-0182