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2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID IOcQSBYzm8G
InChI InChI=1S/C22H21N3O3S2/c1-14-6-8-15(9-7-14)12-23-18(27)13-29-22-24-19-16-4-2-3-5-17(16)30-20(19)21(28)25(22)10-11-26/h2-9,26H,10-13H2,1H3,(H,23,27)
InChIKey WWRKRJQQYKGOQU-UHFFFAOYSA-N
Mol Weight 439.55 g/mol
Molecular Formula C22H21N3O3S2
Exact Mass 439.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LfgtzKfrDZL
Name 2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylbenzyl)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 439.102433893 u
Formula C22H21N3O3S2
InChI InChI=1S/C22H21N3O3S2/c1-14-6-8-15(9-7-14)12-23-18(27)13-29-22-24-19-16-4-2-3-5-17(16)30-20(19)21(28)25(22)10-11-26/h2-9,26H,10-13H2,1H3,(H,23,27)
InChIKey WWRKRJQQYKGOQU-UHFFFAOYSA-N
Molecular Weight 439.548 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7796
Solvent DMSO-d6
Source Vendor ID: NMR/13218541