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ethyl 4-({[3-cyano-4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-5-methyl-3-isoxazolecarboxylate
SpectraBase Compound ID E6kK4hIveYG
InChI InChI=1S/C21H15F4N3O3S/c1-3-30-20(29)18-16(11(2)31-28-18)10-32-19-15(9-26)14(8-17(27-19)21(23,24)25)12-4-6-13(22)7-5-12/h4-8H,3,10H2,1-2H3
InChIKey ONBACUGNJYMBCE-UHFFFAOYSA-N
Mol Weight 465.42 g/mol
Molecular Formula C21H15F4N3O3S
Exact Mass 465.077025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TgJQcUsCc2
Name ethyl 4-({[3-cyano-4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-5-methyl-3-isoxazolecarboxylate
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/C21H15F4N3O3S/c1-3-30-20(29)18-16(11(2)31-28-18)10-32-19-15(9-26)14(8-17(27-19)21(23,24)25)12-4-6-13(22)7-5-12/h4-8H,3,10H2,1-2H3
InChIKey ONBACUGNJYMBCE-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33521
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: 1967204; SBI_ID: SBI-033525
Temperature 297 °C