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ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LuoKi1lJDwa
InChI InChI=1S/C22H20Cl2N2O4S/c1-3-29-22(28)17-12-7-4-5-10-15(12)31-21(17)25-20(27)16-11(2)30-26-19(16)18-13(23)8-6-9-14(18)24/h6,8-9H,3-5,7,10H2,1-2H3,(H,25,27)
InChIKey XHHQBUKYRQSUJI-UHFFFAOYSA-N
Mol Weight 479.38 g/mol
Molecular Formula C22H20Cl2N2O4S
Exact Mass 478.052084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZUf9LqPvLK
Name ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C22H20Cl2N2O4S/c1-3-29-22(28)17-12-7-4-5-10-15(12)31-21(17)25-20(27)16-11(2)30-26-19(16)18-13(23)8-6-9-14(18)24/h6,8-9H,3-5,7,10H2,1-2H3,(H,25,27)
InChIKey XHHQBUKYRQSUJI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11777
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/9091296; Labnumber: NSB0002865; UZI_ID: UZI-011779
Temperature 308 °C