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ethyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}butanoate
SpectraBase Compound ID CNuCGh0ABQ5
InChI InChI=1S/C17H15F3N2O2S2/c1-2-24-15(23)6-4-8-26-16-11(10-21)12(17(18,19)20)9-13(22-16)14-5-3-7-25-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKey UKHWHVQLCSXJOD-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C17H15F3N2O2S2
Exact Mass 400.052705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9fE6tGmPSjn
Name ethyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}butanoate
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/C17H15F3N2O2S2/c1-2-24-15(23)6-4-8-26-16-11(10-21)12(17(18,19)20)9-13(22-16)14-5-3-7-25-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKey UKHWHVQLCSXJOD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25663
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: D60535; Labnumber: SHES3-0318; SBI_ID: SBI-025667
Temperature 308 °C