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ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate

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ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
SpectraBase Compound ID B1wo8h6tVIb
InChI InChI=1S/C21H21F4N3O4S/c1-2-32-19(31)20(21(23,24)25,27-17(30)11-7-9-12(22)10-8-11)28-18-15(16(26)29)13-5-3-4-6-14(13)33-18/h7-10,28H,2-6H2,1H3,(H2,26,29)(H,27,30)
InChIKey RZDNTELPPNZTJP-UHFFFAOYSA-N
Mol Weight 487.47 g/mol
Molecular Formula C21H21F4N3O4S
Exact Mass 487.11889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 81ff4loBKlm
Name ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]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/C21H21F4N3O4S/c1-2-32-19(31)20(21(23,24)25,27-17(30)11-7-9-12(22)10-8-11)28-18-15(16(26)29)13-5-3-4-6-14(13)33-18/h7-10,28H,2-6H2,1H3,(H2,26,29)(H,27,30)
InChIKey RZDNTELPPNZTJP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1005
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/9233267; Labnumber: AU-0000676
Temperature 303 °C