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isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 37whcNuGAi8
InChI InChI=1S/C28H25ClFN3O6S/c1-13(2)38-28(36)20-14(3)24(26(35)31-16-9-11-17(37-5)12-10-16)40-27(20)32-25(34)21-15(4)39-33-23(21)22-18(29)7-6-8-19(22)30/h6-13H,1-5H3,(H,31,35)(H,32,34)
InChIKey JXAKPMZDEJPTDJ-UHFFFAOYSA-N
Mol Weight 586.03 g/mol
Molecular Formula C28H25ClFN3O6S
Exact Mass 585.113663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AnGoUMAILR1
Name isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-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/C28H25ClFN3O6S/c1-13(2)38-28(36)20-14(3)24(26(35)31-16-9-11-17(37-5)12-10-16)40-27(20)32-25(34)21-15(4)39-33-23(21)22-18(29)7-6-8-19(22)30/h6-13H,1-5H3,(H,31,35)(H,32,34)
InChIKey JXAKPMZDEJPTDJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19926
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/9157735; Labnumber: U_AM_ACK/022711; UZI_ID: UZI-019934
Temperature 318 °C