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

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methyl 2-{[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID D9Rj40mJyuQ
InChI InChI=1S/C19H16F6N2O3S/c1-30-16(29)13-11-8-5-9-12(11)31-15(13)27-17(18(20,21)22,19(23,24)25)26-14(28)10-6-3-2-4-7-10/h2-4,6-7,27H,5,8-9H2,1H3,(H,26,28)
InChIKey VTNWPASIDJOEIR-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C19H16F6N2O3S
Exact Mass 466.078583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKBFHlaJUdZ
Name methyl 2-{[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]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/C19H16F6N2O3S/c1-30-16(29)13-11-8-5-9-12(11)31-15(13)27-17(18(20,21)22,19(23,24)25)26-14(28)10-6-3-2-4-7-10/h2-4,6-7,27H,5,8-9H2,1H3,(H,26,28)
InChIKey VTNWPASIDJOEIR-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3269
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/10211675; Labnumber: AU-T000840