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2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
SpectraBase Compound ID C4PaLkzdEKN
InChI InChI=1S/C21H27N3O4S2/c1-3-28-13-7-11-24-20(26)19-18(15-8-4-5-9-16(15)30-19)23-21(24)29-14-17(25)22-10-6-12-27-2/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,22,25)
InChIKey BAAUJGQGAUXZHI-UHFFFAOYSA-N
Mol Weight 449.58 g/mol
Molecular Formula C21H27N3O4S2
Exact Mass 449.144299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ZAGKpRbGsK
Name 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxypropyl)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 449.144298705 u
Formula C21H27N3O4S2
InChI InChI=1S/C21H27N3O4S2/c1-3-28-13-7-11-24-20(26)19-18(15-8-4-5-9-16(15)30-19)23-21(24)29-14-17(25)22-10-6-12-27-2/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,22,25)
InChIKey BAAUJGQGAUXZHI-UHFFFAOYSA-N
Molecular Weight 449.584 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6253
Solvent DMSO-d6
Source Vendor ID: NMR/12328347