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2-([2,2,2-Trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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2-([2,2,2-Trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID JFoBwqjeXSq
InChI InChI=1S/C16H19F6N3O2S/c1-7(2)12(27)24-14(15(17,18)19,16(20,21)22)25-13-10(11(23)26)8-5-3-4-6-9(8)28-13/h7,25H,3-6H2,1-2H3,(H2,23,26)(H,24,27)
InChIKey VJFBNDYVFUZBEZ-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C16H19F6N3O2S
Exact Mass 431.110217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BEAFFcUS4F8
Name 2-{[2,2,2-trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C16H19F6N3O2S/c1-7(2)12(27)24-14(15(17,18)19,16(20,21)22)25-13-10(11(23)26)8-5-3-4-6-9(8)28-13/h7,25H,3-6H2,1-2H3,(H2,23,26)(H,24,27)
InChIKey VJFBNDYVFUZBEZ-UHFFFAOYSA-N
NMR Offset 13.9804
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1783
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/9254008; Labnumber: AU-0000915
Temperature 297 °C