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methyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 8HjTVSUfj5Y
InChI InChI=1S/C24H19ClFNO3S2/c1-11-5-6-12(2)16(9-11)18-13(3)31-23(19(18)24(29)30-4)27-22(28)21-20(25)15-8-7-14(26)10-17(15)32-21/h5-10H,1-4H3,(H,27,28)
InChIKey KQPAONJWXDNIOI-UHFFFAOYSA-N
Mol Weight 487.99 g/mol
Molecular Formula C24H19ClFNO3S2
Exact Mass 487.047892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 12gfx99wYHN
Name methyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-(2,5-dimethylphenyl)-5-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/C24H19ClFNO3S2/c1-11-5-6-12(2)16(9-11)18-13(3)31-23(19(18)24(29)30-4)27-22(28)21-20(25)15-8-7-14(26)10-17(15)32-21/h5-10H,1-4H3,(H,27,28)
InChIKey KQPAONJWXDNIOI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14927
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/9099611; Labnumber: NSB-0000411; UZI_ID: UZI-014931
Temperature 313 °C