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6-tert-Butyl-2-[2-(2-methylphenoxy)ethanoylamino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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6-tert-Butyl-2-[2-(2-methylphenoxy)ethanoylamino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 7fJxwQShF3X
InChI InChI=1S/C29H31F3N2O3S/c1-17-9-5-8-12-22(17)37-16-24(35)34-27-25(19-14-13-18(28(2,3)4)15-23(19)38-27)26(36)33-21-11-7-6-10-20(21)29(30,31)32/h5-12,18H,13-16H2,1-4H3,(H,33,36)(H,34,35)
InChIKey JEINFAYVCZHEMO-UHFFFAOYSA-N
Mol Weight 544.63 g/mol
Molecular Formula C29H31F3N2O3S
Exact Mass 544.200749 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CS7jHsJTehG
Name benzo[b]thiophene-3-carboxamide, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(2-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.200748526 u
Formula C29H31F3N2O3S
InChI InChI=1S/C29H31F3N2O3S/c1-17-9-5-8-12-22(17)37-16-24(35)34-27-25(19-14-13-18(28(2,3)4)15-23(19)38-27)26(36)33-21-11-7-6-10-20(21)29(30,31)32/h5-12,18H,13-16H2,1-4H3,(H,33,36)(H,34,35)
InChIKey JEINFAYVCZHEMO-UHFFFAOYSA-N
Molecular Weight 544.633 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10348
Solvent DMSO-d6
Source Vendor ID: NMR/10241414; Lab Info: DEC; Lab Number: DEC-S000119
Temperature 23.85 °C