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isopropyl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate
SpectraBase Compound ID FutnvT8J0kp
InChI InChI=1S/C20H17F3N2O3S/c1-12(2)28-18(27)8-14(26)11-29-19-15(10-24)16(20(21,22)23)9-17(25-19)13-6-4-3-5-7-13/h3-7,9,12H,8,11H2,1-2H3
InChIKey PCPCKYJZLBJUEX-UHFFFAOYSA-N
Mol Weight 422.42 g/mol
Molecular Formula C20H17F3N2O3S
Exact Mass 422.091198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15WeIUZ4LUy
Name isopropyl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate
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/C20H17F3N2O3S/c1-12(2)28-18(27)8-14(26)11-29-19-15(10-24)16(20(21,22)23)9-17(25-19)13-6-4-3-5-7-13/h3-7,9,12H,8,11H2,1-2H3
InChIKey PCPCKYJZLBJUEX-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_968
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: ZI/8161187; Labnumber: TSH-f000686
Temperature 303 °C