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butanoic acid, 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxo-, ethyl ester
SpectraBase Compound ID GgdEO8OIJwh
InChI InChI=1S/C14H13F3N2O3S/c1-3-22-12(21)5-9(20)7-23-13-10(6-18)11(14(15,16)17)4-8(2)19-13/h4H,3,5,7H2,1-2H3
InChIKey CDTJPFSMFGBOIT-UHFFFAOYSA-N
Mol Weight 346.32 g/mol
Molecular Formula C14H13F3N2O3S
Exact Mass 346.059898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7AbdIyUQV1C
Name butanoic acid, 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-3-oxo-, ethyl ester
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/C14H13F3N2O3S/c1-3-22-12(21)5-9(20)7-23-13-10(6-18)11(14(15,16)17)4-8(2)19-13/h4H,3,5,7H2,1-2H3
InChIKey CDTJPFSMFGBOIT-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_1049
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: 63NKG0.001; IOH_ID: IOH-008051