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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl
SpectraBase Compound ID D3she9Lh3x9
InChI InChI=1S/C17H20F6N2O3S/c1-3-11(26)24-15(16(18,19)20,17(21,22)23)25-13-12(14(27)28-2)9-7-5-4-6-8-10(9)29-13/h25H,3-8H2,1-2H3,(H,24,26)
InChIKey NJFNQZKPOPIGQD-UHFFFAOYSA-N
Mol Weight 446.41 g/mol
Molecular Formula C17H20F6N2O3S
Exact Mass 446.109883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIvraDfXuBu
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.109882661 u
Formula C17H20F6N2O3S
InChI InChI=1S/C17H20F6N2O3S/c1-3-11(26)24-15(16(18,19)20,17(21,22)23)25-13-12(14(27)28-2)9-7-5-4-6-8-10(9)29-13/h25H,3-8H2,1-2H3,(H,24,26)
InChIKey NJFNQZKPOPIGQD-UHFFFAOYSA-N
Molecular Weight 446.408 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4353
Solvent DMSO-d6
Source Vendor ID: NMR/9290742; Lab Info: AU; Lab Number: AU-0001030
Temperature 29.85 °C