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ethyl 2-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate

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ethyl 2-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
SpectraBase Compound ID 306Jwwln5lc
InChI InChI=1S/C20H19F4N3O4S/c1-2-31-18(30)19(20(22,23)24,26-16(29)10-5-3-6-11(21)9-10)27-17-14(15(25)28)12-7-4-8-13(12)32-17/h3,5-6,9,27H,2,4,7-8H2,1H3,(H2,25,28)(H,26,29)
InChIKey YBVUNNHBFNZQRR-UHFFFAOYSA-N
Mol Weight 473.44 g/mol
Molecular Formula C20H19F4N3O4S
Exact Mass 473.10324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KwISMW16bNB
Name ethyl 2-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
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/C20H19F4N3O4S/c1-2-31-18(30)19(20(22,23)24,26-16(29)10-5-3-6-11(21)9-10)27-17-14(15(25)28)12-7-4-8-13(12)32-17/h3,5-6,9,27H,2,4,7-8H2,1H3,(H2,25,28)(H,26,29)
InChIKey YBVUNNHBFNZQRR-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2908
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/9302527; Labnumber: AU-T000608