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2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide

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2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide
SpectraBase Compound ID 94tY2UsNCM1
InChI InChI=1S/C22H27N3O4S2/c1-2-28-11-6-10-25-21(27)20-19(16-8-3-4-9-17(16)31-20)24-22(25)30-14-18(26)23-13-15-7-5-12-29-15/h3-4,8-9,15H,2,5-7,10-14H2,1H3,(H,23,26)
InChIKey KRHQHMZOTNHBJQ-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C22H27N3O4S2
Exact Mass 461.144299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cI8f5DonBI
Name 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)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 461.144298705 u
Formula C22H27N3O4S2
InChI InChI=1S/C22H27N3O4S2/c1-2-28-11-6-10-25-21(27)20-19(16-8-3-4-9-17(16)31-20)24-22(25)30-14-18(26)23-13-15-7-5-12-29-15/h3-4,8-9,15H,2,5-7,10-14H2,1H3,(H,23,26)
InChIKey KRHQHMZOTNHBJQ-UHFFFAOYSA-N
Molecular Weight 461.595 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6233
Solvent DMSO-d6
Source Vendor ID: NMR/12328320