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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl

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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl
SpectraBase Compound ID EqKrY7J5DTP
InChI InChI=1S/C20H17F7N2O3S/c1-32-17(31)14-11-7-3-5-9-13(11)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-6-2-4-8-12(10)21/h2,4,6,8,29H,3,5,7,9H2,1H3,(H,28,30)
InChIKey YJBDRABVHYZHRQ-UHFFFAOYSA-N
Mol Weight 498.42 g/mol
Molecular Formula C20H17F7N2O3S
Exact Mass 498.084811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2oZugoNMbfO
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.084810727 u
Formula C20H17F7N2O3S
InChI InChI=1S/C20H17F7N2O3S/c1-32-17(31)14-11-7-3-5-9-13(11)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-6-2-4-8-12(10)21/h2,4,6,8,29H,3,5,7,9H2,1H3,(H,28,30)
InChIKey YJBDRABVHYZHRQ-UHFFFAOYSA-N
Molecular Weight 498.416 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4008
Solvent DMSO-d6
Source Vendor ID: NMR/9233263; Lab Info: AU; Lab Number: AU-0000669
Temperature 29.85 °C