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4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-2-[(trifluoroacetyl)amino]-
SpectraBase Compound ID B4ORCCfROgg
InChI InChI=1S/C20H21F3N2O3S/c1-2-28-14-10-7-6-9-13(14)24-17(26)16-12-8-4-3-5-11-15(12)29-18(16)25-19(27)20(21,22)23/h6-7,9-10H,2-5,8,11H2,1H3,(H,24,26)(H,25,27)
InChIKey YDYGGOUDFXWEMT-UHFFFAOYSA-N
Mol Weight 426.45 g/mol
Molecular Formula C20H21F3N2O3S
Exact Mass 426.122498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5OiZMVRah8
Name 4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-2-[(trifluoroacetyl)amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.122498204 u
Formula C20H21F3N2O3S
InChI InChI=1S/C20H21F3N2O3S/c1-2-28-14-10-7-6-9-13(14)24-17(26)16-12-8-4-3-5-11-15(12)29-18(16)25-19(27)20(21,22)23/h6-7,9-10H,2-5,8,11H2,1H3,(H,24,26)(H,25,27)
InChIKey YDYGGOUDFXWEMT-UHFFFAOYSA-N
Molecular Weight 426.454 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5408
Solvent DMSO-d6
Source Vendor ID: NMR/9290933; Lab Info: DEC; Lab Number: DEC-S001115