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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(4-fluorobenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl
SpectraBase Compound ID 1SOfDRZTDIa
InChI InChI=1S/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-8-10-13(23)11-9-12)28-18-16(19(30)32-2)14-6-4-5-7-15(14)34-18/h8-11,28H,3-7H2,1-2H3,(H,27,29)
InChIKey QLCYYGRAMROBOL-UHFFFAOYSA-N
Mol Weight 502.48 g/mol
Molecular Formula C22H22F4N2O5S
Exact Mass 502.118556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DxVhJpJt07l
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(4-fluorobenzoyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, 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 502.118555637 u
Formula C22H22F4N2O5S
InChI InChI=1S/C22H22F4N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-8-10-13(23)11-9-12)28-18-16(19(30)32-2)14-6-4-5-7-15(14)34-18/h8-11,28H,3-7H2,1-2H3,(H,27,29)
InChIKey QLCYYGRAMROBOL-UHFFFAOYSA-N
Molecular Weight 502.481 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2299
Solvent DMSO-d6
Source Vendor ID: NMR/9233243; Lab Info: AU; Lab Number: AU-0000665
Temperature 29.85 °C