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3-(3-methoxypropyl)-2-{[2-(4-methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID aYwo9Di5dj
InChI InChI=1S/C22H27N3O3S2/c1-15-8-11-24(12-9-15)18(26)14-29-22-23-19-16-6-3-4-7-17(16)30-20(19)21(27)25(22)10-5-13-28-2/h3-4,6-7,15H,5,8-14H2,1-2H3
InChIKey MEXFONMMDUHNIQ-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C22H27N3O3S2
Exact Mass 445.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7a1IsoLmV6Z
Name 3-(3-methoxypropyl)-2-{[2-(4-methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.149384086 u
Formula C22H27N3O3S2
InChI InChI=1S/C22H27N3O3S2/c1-15-8-11-24(12-9-15)18(26)14-29-22-23-19-16-6-3-4-7-17(16)30-20(19)21(27)25(22)10-5-13-28-2/h3-4,6-7,15H,5,8-14H2,1-2H3
InChIKey MEXFONMMDUHNIQ-UHFFFAOYSA-N
Molecular Weight 445.596 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7111
Solvent DMSO-d6
Source Vendor ID: NMR/12329648