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2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID LFycwgoOCAI
InChI InChI=1S/C23H23N3O3S2/c1-3-4-12-26-22(28)21-20(17-10-5-6-11-18(17)31-21)25-23(26)30-14-19(27)24-15-8-7-9-16(13-15)29-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)
InChIKey PQWWTHOWYOHZSM-UHFFFAOYSA-N
Mol Weight 453.58 g/mol
Molecular Formula C23H23N3O3S2
Exact Mass 453.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KSGQVTVFls
Name 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)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 453.118083958 u
Formula C23H23N3O3S2
InChI InChI=1S/C23H23N3O3S2/c1-3-4-12-26-22(28)21-20(17-10-5-6-11-18(17)31-21)25-23(26)30-14-19(27)24-15-8-7-9-16(13-15)29-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)
InChIKey PQWWTHOWYOHZSM-UHFFFAOYSA-N
Molecular Weight 453.575 g/mol
NMR Offset 17.9985
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9842
Solvent DMSO-d6
Source Vendor ID: NMR/13229914