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

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methyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-cyclohexylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID AslHBjjc5BU
InChI InChI=1S/C29H26ClFN2O4S/c1-16-23(26(33-37-16)25-21(30)9-6-10-22(25)31)27(34)32-28-24(29(35)36-2)20(15-38-28)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8H2,1-2H3,(H,32,34)
InChIKey BJKUCKBXDYZTSH-UHFFFAOYSA-N
Mol Weight 553.05 g/mol
Molecular Formula C29H26ClFN2O4S
Exact Mass 552.128584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAnitDfVAuL
Name methyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-cyclohexylphenyl)-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/C29H26ClFN2O4S/c1-16-23(26(33-37-16)25-21(30)9-6-10-22(25)31)27(34)32-28-24(29(35)36-2)20(15-38-28)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8H2,1-2H3,(H,32,34)
InChIKey BJKUCKBXDYZTSH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20150
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/9264484; Labnumber: U_AM_ACK/029795; UZI_ID: UZI-020158
Temperature 308 °C