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3-pyridinecarbonitrile, 6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-
SpectraBase Compound ID 4BbPuVoMzJi
InChI InChI=1S/C16H10F3N3O3S/c1-9-6-13(16(17,18)19)12(7-20)15(21-9)26-8-14(23)10-2-4-11(5-3-10)22(24)25/h2-6H,8H2,1H3
InChIKey TZGJYBJOOIBITB-UHFFFAOYSA-N
Mol Weight 381.33 g/mol
Molecular Formula C16H10F3N3O3S
Exact Mass 381.039497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GR4jaAMcIC
Name 3-pyridinecarbonitrile, 6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-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/C16H10F3N3O3S/c1-9-6-13(16(17,18)19)12(7-20)15(21-9)26-8-14(23)10-2-4-11(5-3-10)22(24)25/h2-6H,8H2,1H3
InChIKey TZGJYBJOOIBITB-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2852
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/10218521