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ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
SpectraBase Compound ID 1TXsp0xe3Lc
InChI InChI=1S/C20H19F4N3O3S/c1-4-14-11(3)31-17(15(14)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)12-6-8-13(21)9-7-12/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey HRUOSAABYAURNO-UHFFFAOYSA-N
Mol Weight 457.44 g/mol
Molecular Formula C20H19F4N3O3S
Exact Mass 457.108325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWP6ORN1gi1
Name ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
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/C20H19F4N3O3S/c1-4-14-11(3)31-17(15(14)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)12-6-8-13(21)9-7-12/h6-9,27H,4-5H2,1-3H3,(H,26,28)
InChIKey HRUOSAABYAURNO-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2534
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/9290883; Labnumber: AU-EC00485