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

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methyl 2-({1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID DQNVGbmNRjf
InChI InChI=1S/C17H21F3N2O6S/c1-4-27-14(24)16(17(18,19)20,22-15(25)28-5-2)21-12-11(13(23)26-3)9-7-6-8-10(9)29-12/h21H,4-8H2,1-3H3,(H,22,25)
InChIKey LZQQHAOPRSUSHV-UHFFFAOYSA-N
Mol Weight 438.42 g/mol
Molecular Formula C17H21F3N2O6S
Exact Mass 438.107242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HlQOLXmLsMn
Name methyl 2-({1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-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/C17H21F3N2O6S/c1-4-27-14(24)16(17(18,19)20,22-15(25)28-5-2)21-12-11(13(23)26-3)9-7-6-8-10(9)29-12/h21H,4-8H2,1-3H3,(H,22,25)
InChIKey LZQQHAOPRSUSHV-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3271
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/10211678; Labnumber: AU-T000843