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ethyl 1-({[3-cyano-4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
SpectraBase Compound ID L1ZohzWJzZn
InChI InChI=1S/C20H14F4N4O2S/c1-2-30-19(29)16-7-8-28(27-16)11-31-18-15(10-25)14(9-17(26-18)20(22,23)24)12-3-5-13(21)6-4-12/h3-9H,2,11H2,1H3
InChIKey CGUJQLXMOUJMDX-UHFFFAOYSA-N
Mol Weight 450.41 g/mol
Molecular Formula C20H14F4N4O2S
Exact Mass 450.07736 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhhdOFle6YH
Name ethyl 1-({[3-cyano-4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
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/C20H14F4N4O2S/c1-2-30-19(29)16-7-8-28(27-16)11-31-18-15(10-25)14(9-17(26-18)20(22,23)24)12-3-5-13(21)6-4-12/h3-9H,2,11H2,1H3
InChIKey CGUJQLXMOUJMDX-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16580
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1262522; Labnumber: OLG0930; UZI_ID: UZI-016584
Temperature 318 °C