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methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 76yxlAdaAAv
InChI InChI=1S/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-8-4-6-10-14(12)23)28-18-16(19(30)32-2)13-9-5-7-11-15(13)34-18/h4,6,8,10,28H,3,5,7,9,11H2,1-2H3,(H,27,29)
InChIKey NPLOXXJTKSHCPD-UHFFFAOYSA-N
Mol Weight 502.48 g/mol
Molecular Formula C22H22F4N2O5S
Exact Mass 502.118556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EM6shwE4TIl
Name methyl 2-({1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-8-4-6-10-14(12)23)28-18-16(19(30)32-2)13-9-5-7-11-15(13)34-18/h4,6,8,10,28H,3,5,7,9,11H2,1-2H3,(H,27,29)
InChIKey NPLOXXJTKSHCPD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1003
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/9233261; Labnumber: AU-0000667
Temperature 303 °C