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methyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate

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methyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID Bb3LJY9c6Dz
InChI InChI=1S/C26H22ClFN2O4S/c1-5-15-9-11-16(12-10-15)20-14(3)35-25(22(20)26(32)33-4)29-24(31)19-13(2)34-30-23(19)21-17(27)7-6-8-18(21)28/h6-12H,5H2,1-4H3,(H,29,31)
InChIKey HNEBTSSOAFUJPO-UHFFFAOYSA-N
Mol Weight 512.98 g/mol
Molecular Formula C26H22ClFN2O4S
Exact Mass 512.097284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bWOs9MctRj
Name methyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
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/C26H22ClFN2O4S/c1-5-15-9-11-16(12-10-15)20-14(3)35-25(22(20)26(32)33-4)29-24(31)19-13(2)34-30-23(19)21-17(27)7-6-8-18(21)28/h6-12H,5H2,1-4H3,(H,29,31)
InChIKey HNEBTSSOAFUJPO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15111
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/9123709; Labnumber: NSB-0095772; UZI_ID: UZI-015115
Temperature 313 °C