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N-(4-fluorophenyl)-2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID FvEQ6piMjFA
InChI InChI=1S/C22H20FN3O3S2/c1-29-12-4-11-26-21(28)20-19(16-5-2-3-6-17(16)31-20)25-22(26)30-13-18(27)24-15-9-7-14(23)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,24,27)
InChIKey SCWBSVQDHICJMA-UHFFFAOYSA-N
Mol Weight 457.54 g/mol
Molecular Formula C22H20FN3O3S2
Exact Mass 457.093012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9R0GqurGF0l
Name N-(4-fluorophenyl)-2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}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 457.093012024 u
Formula C22H20FN3O3S2
InChI InChI=1S/C22H20FN3O3S2/c1-29-12-4-11-26-21(28)20-19(16-5-2-3-6-17(16)31-20)25-22(26)30-13-18(27)24-15-9-7-14(23)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,24,27)
InChIKey SCWBSVQDHICJMA-UHFFFAOYSA-N
Molecular Weight 457.538 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7114
Solvent DMSO-d6
Source Vendor ID: NMR/12329651