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3-(2-chloro-6-fluorophenyl)-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID H2V52acg0bp
InChI InChI=1S/C22H20ClFN4O3S/c1-5-28(6-2)22(30)19-11(3)13(10-25)21(32-19)26-20(29)16-12(4)31-27-18(16)17-14(23)8-7-9-15(17)24/h7-9H,5-6H2,1-4H3,(H,26,29)
InChIKey BNOKNYOSEHJJEK-UHFFFAOYSA-N
Mol Weight 474.94 g/mol
Molecular Formula C22H20ClFN4O3S
Exact Mass 474.092868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0SSAObxIIi
Name 3-(2-chloro-6-fluorophenyl)-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-5-methyl-4-isoxazolecarboxamide
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/C22H20ClFN4O3S/c1-5-28(6-2)22(30)19-11(3)13(10-25)21(32-19)26-20(29)16-12(4)31-27-18(16)17-14(23)8-7-9-15(17)24/h7-9H,5-6H2,1-4H3,(H,26,29)
InChIKey BNOKNYOSEHJJEK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18610
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: UZI/9125628; UBI_ID: UBI-018613
Temperature 318 °C