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2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID 2tayXXXj2g1
InChI InChI=1S/C24H25N3O2S2/c1-3-4-13-27-23(29)22-21(18-7-5-6-8-19(18)31-22)26-24(27)30-15-20(28)25-14-17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKey BYBRVJPSBNHJBI-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C24H25N3O2S2
Exact Mass 451.138819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5xRfgyN2mjQ
Name 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylbenzyl)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 451.138819403 u
Formula C24H25N3O2S2
InChI InChI=1S/C24H25N3O2S2/c1-3-4-13-27-23(29)22-21(18-7-5-6-8-19(18)31-22)26-24(27)30-15-20(28)25-14-17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKey BYBRVJPSBNHJBI-UHFFFAOYSA-N
Molecular Weight 451.603 g/mol
NMR Offset 17.9985
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9840
Solvent DMSO-d6
Source Vendor ID: NMR/13229912