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1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester

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1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester
SpectraBase Compound ID DyPMfh5bXZe
InChI InChI=1S/C21H20F6N2O3S/c1-32-18(31)16-13-9-5-6-10-14(13)33-17(16)29-19(20(22,23)24,21(25,26)27)28-15(30)11-12-7-3-2-4-8-12/h2-4,7-8,29H,5-6,9-11H2,1H3,(H,28,30)
InChIKey OFYNQDFUHAMBPL-UHFFFAOYSA-N
Mol Weight 494.45 g/mol
Molecular Formula C21H20F6N2O3S
Exact Mass 494.109883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K044kFAe52X
Name methyl 2-{[2,2,2-trifluoro-1-[(phenylacetyl)amino]-1-(trifluoromethyl)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/C21H20F6N2O3S/c1-32-18(31)16-13-9-5-6-10-14(13)33-17(16)29-19(20(22,23)24,21(25,26)27)28-15(30)11-12-7-3-2-4-8-12/h2-4,7-8,29H,5-6,9-11H2,1H3,(H,28,30)
InChIKey OFYNQDFUHAMBPL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_427
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: C27131; Labnumber: SOK-1048; SBI_ID: SBI-000429
Temperature 308 °C