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4-Methyl-5-(piperidine-1-carbonyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]thiophene-3-carboxylic acid ethyl ester

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

4-Methyl-5-(piperidine-1-carbonyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID Kc1Yd71IK6B
InChI InChI=1S/C18H20F6N2O4S/c1-3-30-16(29)10-9(2)11(15(28)26-7-5-4-6-8-26)31-14(10)25-13(27)12(17(19,20)21)18(22,23)24/h12H,3-8H2,1-2H3,(H,25,27)
InChIKey FXNALQAVLNTVOW-UHFFFAOYSA-N
Mol Weight 474.42 g/mol
Molecular Formula C18H20F6N2O4S
Exact Mass 474.104797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5gRDMpLuAeE
Name 3-thiophenecarboxylic acid, 4-methyl-5-(1-piperidinylcarbonyl)-2-[[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]amino]-, ethyl 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 474.104797280 u
Formula C18H20F6N2O4S
InChI InChI=1S/C18H20F6N2O4S/c1-3-30-16(29)10-9(2)11(15(28)26-7-5-4-6-8-26)31-14(10)25-13(27)12(17(19,20)21)18(22,23)24/h12H,3-8H2,1-2H3,(H,25,27)
InChIKey FXNALQAVLNTVOW-UHFFFAOYSA-N
Molecular Weight 474.418 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18103
Solvent DMSO-d6
Source Vendor ID: NMR/10320505; Lab Info: DYA; Lab Number: DYA-0101018