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(3-Cyano-4-thiophen-2-yl-6-trifluoromethyl-pyridin-2-ylsulfanyl)-acetic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3-Cyano-4-thiophen-2-yl-6-trifluoromethyl-pyridin-2-ylsulfanyl)-acetic acid
SpectraBase Compound ID DRXqR885q8y
InChI InChI=1S/C13H7F3N2O2S2/c14-13(15,16)10-4-7(9-2-1-3-21-9)8(5-17)12(18-10)22-6-11(19)20/h1-4H,6H2,(H,19,20)
InChIKey FEQDIZNRMFFYJZ-UHFFFAOYSA-N
Mol Weight 344.33 g/mol
Molecular Formula C13H7F3N2O2S2
Exact Mass 343.990104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Ctuc8lnsXb
Name {[3-cyano-4-(2-thienyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid
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/C13H7F3N2O2S2/c14-13(15,16)10-4-7(9-2-1-3-21-9)8(5-17)12(18-10)22-6-11(19)20/h1-4H,6H2,(H,19,20)
InChIKey FEQDIZNRMFFYJZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1900
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/9301993
Temperature 303 °C