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methyl 2-{[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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methyl 2-{[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID InYvE60YU9L
InChI InChI=1S/C21H21F3N2O5S/c1-3-31-19(29)20(21(22,23)24,25-16(27)12-8-5-4-6-9-12)26-17-15(18(28)30-2)13-10-7-11-14(13)32-17/h4-6,8-9,26H,3,7,10-11H2,1-2H3,(H,25,27)
InChIKey FCZCUFIEEAUKIE-UHFFFAOYSA-N
Mol Weight 470.46 g/mol
Molecular Formula C21H21F3N2O5S
Exact Mass 470.112327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XU4M5TfyVH
Name methyl 2-{[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-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/C21H21F3N2O5S/c1-3-31-19(29)20(21(22,23)24,25-16(27)12-8-5-4-6-9-12)26-17-15(18(28)30-2)13-10-7-11-14(13)32-17/h4-6,8-9,26H,3,7,10-11H2,1-2H3,(H,25,27)
InChIKey FCZCUFIEEAUKIE-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3270
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/10211676; Labnumber: AU-T000841