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1-Benzothiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID JOys9JtRyLw
InChI InChI=1S/C23H22F6N2O5S/c1-3-36-20(34)21(23(27,28)29,30-17(32)12-7-6-8-13(11-12)22(24,25)26)31-18-16(19(33)35-2)14-9-4-5-10-15(14)37-18/h6-8,11,31H,3-5,9-10H2,1-2H3,(H,30,32)
InChIKey VQXFUGZNJNMGEL-UHFFFAOYSA-N
Mol Weight 552.49 g/mol
Molecular Formula C23H22F6N2O5S
Exact Mass 552.115362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EkmKGsIWnX
Name methyl 2-[(1-(ethoxycarbonyl)-2,2,2-trifluoro-1-{[3-(trifluoromethyl)benzoyl]amino}ethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H22F6N2O5S/c1-3-36-20(34)21(23(27,28)29,30-17(32)12-7-6-8-13(11-12)22(24,25)26)31-18-16(19(33)35-2)14-9-4-5-10-15(14)37-18/h6-8,11,31H,3-5,9-10H2,1-2H3,(H,30,32)
InChIKey VQXFUGZNJNMGEL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_2535
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9290889; Labnumber: AU-EC00500
Temperature 303 °C