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3-[4-(furan-2-yl)-2-oxobutyl]-1-{2-oxo-3-[3-(trifluoromethyl)phenyl]propyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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3-[4-(furan-2-yl)-2-oxobutyl]-1-{2-oxo-3-[3-(trifluoromethyl)phenyl]propyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
SpectraBase Compound ID 9obdWP0TRTr
InChI InChI=1S/C22H17F3N4O5S/c23-22(24,25)13-3-1-4-14(9-13)27-18(31)12-28-16-6-8-35-19(16)20(32)29(21(28)33)11-17(30)26-10-15-5-2-7-34-15/h1-9H,10-12H2,(H,26,30)(H,27,31)
InChIKey PJAGTTOPEWXACW-UHFFFAOYSA-N
Mol Weight 506.46 g/mol
Molecular Formula C22H17F3N4O5S
Exact Mass 506.087175 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eHD6a1KozB
Name 3-[4-(furan-2-yl)-2-oxobutyl]-1-{2-oxo-3-[3-(trifluoromethyl)phenyl]propyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.087175321 u
Formula C22H17F3N4O5S
InChI InChI=1S/C22H17F3N4O5S/c23-22(24,25)13-3-1-4-14(9-13)27-18(31)12-28-16-6-8-35-19(16)20(32)29(21(28)33)11-17(30)26-10-15-5-2-7-34-15/h1-9H,10-12H2,(H,26,30)(H,27,31)
InChIKey PJAGTTOPEWXACW-UHFFFAOYSA-N
Molecular Weight 506.456 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8314
Solvent DMSO-d6
Source Vendor ID: NMR/13219441