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methyl 1-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate

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methyl 1-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
SpectraBase Compound ID HfgzF5MEMMK
InChI InChI=1S/C13H13F6N3O3S/c1-25-10(24)22-11(12(14,15)16,13(17,18)19)21-9-7(8(20)23)5-3-2-4-6(5)26-9/h21H,2-4H2,1H3,(H2,20,23)(H,22,24)
InChIKey XMGYJVVHTUUIQE-UHFFFAOYSA-N
Mol Weight 405.32 g/mol
Molecular Formula C13H13F6N3O3S
Exact Mass 405.058181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FCxIqDDlYvn
Name methyl 1-{[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
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/C13H13F6N3O3S/c1-25-10(24)22-11(12(14,15)16,13(17,18)19)21-9-7(8(20)23)5-3-2-4-6(5)26-9/h21H,2-4H2,1H3,(H2,20,23)(H,22,24)
InChIKey XMGYJVVHTUUIQE-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2909
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/9302529; Labnumber: AU-T000610