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2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID CTfL8opZHts
InChI InChI=1S/C22H20FN3O2S2/c1-2-3-12-26-21(28)20-19(16-6-4-5-7-17(16)30-20)25-22(26)29-13-18(27)24-15-10-8-14(23)9-11-15/h4-11H,2-3,12-13H2,1H3,(H,24,27)
InChIKey XGCPGOVWWUIDGF-UHFFFAOYSA-N
Mol Weight 441.54 g/mol
Molecular Formula C22H20FN3O2S2
Exact Mass 441.098097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7IT3ozcVU73
Name 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-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 441.098097405 u
Formula C22H20FN3O2S2
InChI InChI=1S/C22H20FN3O2S2/c1-2-3-12-26-21(28)20-19(16-6-4-5-7-17(16)30-20)25-22(26)29-13-18(27)24-15-10-8-14(23)9-11-15/h4-11H,2-3,12-13H2,1H3,(H,24,27)
InChIKey XGCPGOVWWUIDGF-UHFFFAOYSA-N
Molecular Weight 441.539 g/mol
NMR Offset 17.9993
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9843
Solvent DMSO-d6
Source Vendor ID: NMR/13229915