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Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GuPaEjr6COW
InChI InChI=1S/C22H22ClF3N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29)
InChIKey JRIWVHXDYWPAIV-UHFFFAOYSA-N
Mol Weight 518.94 g/mol
Molecular Formula C22H22ClF3N2O5S
Exact Mass 518.089005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4BkRBe4RIrz
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.089005174 u
Formula C22H22ClF3N2O5S
InChI InChI=1S/C22H22ClF3N2O5S/c1-3-33-20(31)21(22(24,25)26,27-17(29)12-7-6-8-13(23)11-12)28-18-16(19(30)32-2)14-9-4-5-10-15(14)34-18/h6-8,11,28H,3-5,9-10H2,1-2H3,(H,27,29)
InChIKey JRIWVHXDYWPAIV-UHFFFAOYSA-N
Molecular Weight 518.935 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3934
Solvent DMSO-d6
Source Vendor ID: NMR/9254020; Lab Info: AU; Lab Number: AU-0000941
Temperature 29.85 °C