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Methyl 2-([2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Methyl 2-([2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KnxPcSRp2po
InChI InChI=1S/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)
InChIKey HKZNQXQSZHOPIJ-UHFFFAOYSA-N
Mol Weight 460.44 g/mol
Molecular Formula C18H22F6N2O3S
Exact Mass 460.125533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D8X2u3boZXY
Name methyl 2-{[2,2,2-trifluoro-1-(pentanoylamino)-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/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)
InChIKey HKZNQXQSZHOPIJ-UHFFFAOYSA-N
NMR Offset 13.9804
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1786
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/9254014; Labnumber: AU-0000933
Temperature 297 °C