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ethyl 3-cyano-6-(2-thienyl)-2-[(5,5,5-trifluoro-2,4-dioxopentyl)sulfanyl]isonicotinate
SpectraBase Compound ID CofEaF3a0Er
InChI InChI=1S/C18H13F3N2O4S2/c1-2-27-17(26)11-7-13(14-4-3-5-28-14)23-16(12(11)8-22)29-9-10(24)6-15(25)18(19,20)21/h3-5,7H,2,6,9H2,1H3
InChIKey SYRGGRGDLPKRJM-UHFFFAOYSA-N
Mol Weight 442.43 g/mol
Molecular Formula C18H13F3N2O4S2
Exact Mass 442.026884 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3pevgbofNdZ
Name ethyl 3-cyano-6-(2-thienyl)-2-[(5,5,5-trifluoro-2,4-dioxopentyl)sulfanyl]isonicotinate
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/C18H13F3N2O4S2/c1-2-27-17(26)11-7-13(14-4-3-5-28-14)23-16(12(11)8-22)29-9-10(24)6-15(25)18(19,20)21/h3-5,7H,2,6,9H2,1H3
InChIKey SYRGGRGDLPKRJM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_562
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/6143354; UBI_ID: UBI-000563
Temperature 308 °C