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Methyl 2-([2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl]amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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Methyl 2-([2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl]amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID KVaIXaTT8e5
InChI InChI=1S/C15H16F6N2O3S/c1-3-9(24)22-13(14(16,17)18,15(19,20)21)23-11-10(12(25)26-2)7-5-4-6-8(7)27-11/h23H,3-6H2,1-2H3,(H,22,24)
InChIKey KFSBSKDBWVRQCU-UHFFFAOYSA-N
Mol Weight 418.35 g/mol
Molecular Formula C15H16F6N2O3S
Exact Mass 418.078583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLGPTMZJDpa
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.078582532 u
Formula C15H16F6N2O3S
InChI InChI=1S/C15H16F6N2O3S/c1-3-9(24)22-13(14(16,17)18,15(19,20)21)23-11-10(12(25)26-2)7-5-4-6-8(7)27-11/h23H,3-6H2,1-2H3,(H,22,24)
InChIKey KFSBSKDBWVRQCU-UHFFFAOYSA-N
Molecular Weight 418.354 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4352
Solvent DMSO-d6
Source Vendor ID: NMR/9290741; Lab Info: AU; Lab Number: AU-0001026
Temperature 29.85 °C