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3-amino-6-(4-fluorophenyl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID 5pJxqEs6Vk4
InChI InChI=1S/C27H17F4N3OS/c28-18-11-9-16(10-12-18)21-14-20(15-5-2-1-3-6-15)22-23(32)24(36-26(22)34-21)25(35)33-19-8-4-7-17(13-19)27(29,30)31/h1-14H,32H2,(H,33,35)
InChIKey XIEOLJRVDZSRGJ-UHFFFAOYSA-N
Mol Weight 507.51 g/mol
Molecular Formula C27H17F4N3OS
Exact Mass 507.102846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7FOxbJiU0w
Name 3-amino-6-(4-fluorophenyl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
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/C27H17F4N3OS/c28-18-11-9-16(10-12-18)21-14-20(15-5-2-1-3-6-15)22-23(32)24(36-26(22)34-21)25(35)33-19-8-4-7-17(13-19)27(29,30)31/h1-14H,32H2,(H,33,35)
InChIKey XIEOLJRVDZSRGJ-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_3663
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: ZI/7131080; Labnumber: AK-777/09837048; IOH_ID: IOH-003664
Temperature 313 °C