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methyl 6-methyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
SpectraBase Compound ID 822dCIuQa7T
InChI InChI=1S/C18H18F3N3O3S/c1-24-7-6-12-13(9-24)28-15(14(12)16(25)27-2)23-17(26)22-11-5-3-4-10(8-11)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H2,22,23,26)
InChIKey SEWFYNGCSQVIJE-UHFFFAOYSA-N
Mol Weight 413.42 g/mol
Molecular Formula C18H18F3N3O3S
Exact Mass 413.102097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5sWoZvfU7tm
Name methyl 6-methyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-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/C18H18F3N3O3S/c1-24-7-6-12-13(9-24)28-15(14(12)16(25)27-2)23-17(26)22-11-5-3-4-10(8-11)18(19,20)21/h3-5,8H,6-7,9H2,1-2H3,(H2,22,23,26)
InChIKey SEWFYNGCSQVIJE-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2524
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: NMR/9290894; Labnumber: AU-EC00510