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

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isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID HlpS6oIOOmh
InChI InChI=1S/C26H22ClFN2O4S/c1-13(2)33-26(32)21-17(16-10-8-14(3)9-11-16)12-35-25(21)29-24(31)20-15(4)34-30-23(20)22-18(27)6-5-7-19(22)28/h5-13H,1-4H3,(H,29,31)
InChIKey YLCZBBBESAILIE-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 JrChrx16GzG
Name isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methylphenyl)-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/c1-13(2)33-26(32)21-17(16-10-8-14(3)9-11-16)12-35-25(21)29-24(31)20-15(4)34-30-23(20)22-18(27)6-5-7-19(22)28/h5-13H,1-4H3,(H,29,31)
InChIKey YLCZBBBESAILIE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15139
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/9124129; Labnumber: NSB-0095978; UZI_ID: UZI-015143
Temperature 313 °C