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methyl 4-(4-sec-butylphenyl)-2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID 7Xxb1c2j7l6
InChI InChI=1S/C27H24Cl2N2O4S/c1-5-14(2)16-9-11-17(12-10-16)18-13-36-26(22(18)27(33)34-4)30-25(32)21-15(3)35-31-24(21)23-19(28)7-6-8-20(23)29/h6-14H,5H2,1-4H3,(H,30,32)
InChIKey BVYXLPCZYRANEW-UHFFFAOYSA-N
Mol Weight 543.47 g/mol
Molecular Formula C27H24Cl2N2O4S
Exact Mass 542.083384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JE4yEoObcFS
Name methyl 4-(4-sec-butylphenyl)-2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-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/C27H24Cl2N2O4S/c1-5-14(2)16-9-11-17(12-10-16)18-13-36-26(22(18)27(33)34-4)30-25(32)21-15(3)35-31-24(21)23-19(28)7-6-8-20(23)29/h6-14H,5H2,1-4H3,(H,30,32)
InChIKey BVYXLPCZYRANEW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20143
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/9132128; Labnumber: U_AM_ACK/029332; UZI_ID: UZI-020151
Temperature 318 °C