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2-(3-(3,5-dimethoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID KGjxKIpXA35
InChI InChI=1S/C22H18FN3O5S/c1-30-16-9-15(10-17(11-16)31-2)26-21(28)20-18(7-8-32-20)25(22(26)29)12-19(27)24-14-5-3-13(23)4-6-14/h3-11H,12H2,1-2H3,(H,24,27)
InChIKey XHHWMIFQBOHNPL-UHFFFAOYSA-N
Mol Weight 455.46 g/mol
Molecular Formula C22H18FN3O5S
Exact Mass 455.09512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1aNzS2Alx8t
Name 2-(3-(3,5-dimethoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.095120024 u
Formula C22H18FN3O5S
InChI InChI=1S/C22H18FN3O5S/c1-30-16-9-15(10-17(11-16)31-2)26-21(28)20-18(7-8-32-20)25(22(26)29)12-19(27)24-14-5-3-13(23)4-6-14/h3-11H,12H2,1-2H3,(H,24,27)
InChIKey XHHWMIFQBOHNPL-UHFFFAOYSA-N
Molecular Weight 455.460 g/mol
NMR Offset 18.9624
NMR Spectrometer Frequency 500.137
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9290
Solvent DMSO-d6
Source Vendor ID: NMR/13229152