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2-({2-[4-({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)phenyl]-2-oxoethyl}sulfanyl)-6-methyl-4-(trifluoromethyl)nicotinonitrile

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2-({2-[4-({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)phenyl]-2-oxoethyl}sulfanyl)-6-methyl-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID LtCVzUTayJp
InChI InChI=1S/C26H16F6N4O2S2/c1-13-7-19(25(27,28)29)17(9-33)23(35-13)39-11-21(37)15-3-5-16(6-4-15)22(38)12-40-24-18(10-34)20(26(30,31)32)8-14(2)36-24/h3-8H,11-12H2,1-2H3
InChIKey FAKQWRGLJFNHPD-UHFFFAOYSA-N
Mol Weight 594.55 g/mol
Molecular Formula C26H16F6N4O2S2
Exact Mass 594.061887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YB8Z9YsDc6
Name 2-({2-[4-({[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)phenyl]-2-oxoethyl}sulfanyl)-6-methyl-4-(trifluoromethyl)nicotinonitrile
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/C26H16F6N4O2S2/c1-13-7-19(25(27,28)29)17(9-33)23(35-13)39-11-21(37)15-3-5-16(6-4-15)22(38)12-40-24-18(10-34)20(26(30,31)32)8-14(2)36-24/h3-8H,11-12H2,1-2H3
InChIKey FAKQWRGLJFNHPD-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_4008
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/8247130; Labnumber: Z-097126; IOH_ID: IOH-004009
Temperature 313 °C