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ethyl 4-({[3-cyano-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-5-methyl-3-isoxazolecarboxylate

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ethyl 4-({[3-cyano-4-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-5-methyl-3-isoxazolecarboxylate
SpectraBase Compound ID IoLGHATTD8E
InChI InChI=1S/C20H18F3N5O3S/c1-5-30-19(29)17-15(11(3)31-27-17)9-32-18-13(7-24)12(6-16(26-18)20(21,22)23)14-8-25-28(4)10(14)2/h6,8H,5,9H2,1-4H3
InChIKey JHOQYKBUQBYRNL-UHFFFAOYSA-N
Mol Weight 465.45 g/mol
Molecular Formula C20H18F3N5O3S
Exact Mass 465.108245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUbCFVgsar3
Name ethyl 4-({[3-cyano-4-(1,5-dimethyl-1H-pyrazol-4-yl)-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/C20H18F3N5O3S/c1-5-30-19(29)17-15(11(3)31-27-17)9-32-18-13(7-24)12(6-16(26-18)20(21,22)23)14-8-25-28(4)10(14)2/h6,8H,5,9H2,1-4H3
InChIKey JHOQYKBUQBYRNL-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32634
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: 1888304; SBI_ID: SBI-032638
Temperature 297 °C