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methyl 2-[({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID I5MWqrRZ5pA
InChI InChI=1S/C24H23N3O5S2/c1-31-13-7-12-27-22(29)21-20(16-9-4-6-11-18(16)34-21)26-24(27)33-14-19(28)25-17-10-5-3-8-15(17)23(30)32-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,25,28)
InChIKey LTOZKNQWXLEZNM-UHFFFAOYSA-N
Mol Weight 497.58 g/mol
Molecular Formula C24H23N3O5S2
Exact Mass 497.107913 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hOW6NPOsHL
Name methyl 2-[({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.107913196 u
Formula C24H23N3O5S2
InChI InChI=1S/C24H23N3O5S2/c1-31-13-7-12-27-22(29)21-20(16-9-4-6-11-18(16)34-21)26-24(27)33-14-19(28)25-17-10-5-3-8-15(17)23(30)32-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,25,28)
InChIKey LTOZKNQWXLEZNM-UHFFFAOYSA-N
Molecular Weight 497.584 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7113
Solvent DMSO-d6
Source Vendor ID: NMR/12329650