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2-[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID AxWEMdQrZss
InChI InChI=1S/C25H27N3O2S2/c1-16(2)12-13-28-24(30)23-22(19-6-4-5-7-20(19)32-23)27-25(28)31-15-21(29)26-14-18-10-8-17(3)9-11-18/h4-11,16H,12-15H2,1-3H3,(H,26,29)
InChIKey QAKDLYKYNGYEAW-UHFFFAOYSA-N
Mol Weight 465.63 g/mol
Molecular Formula C25H27N3O2S2
Exact Mass 465.154469 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIabS4qbAWy
Name 2-[(3-isopentyl-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 465.154469467 u
Formula C25H27N3O2S2
InChI InChI=1S/C25H27N3O2S2/c1-16(2)12-13-28-24(30)23-22(19-6-4-5-7-20(19)32-23)27-25(28)31-15-21(29)26-14-18-10-8-17(3)9-11-18/h4-11,16H,12-15H2,1-3H3,(H,26,29)
InChIKey QAKDLYKYNGYEAW-UHFFFAOYSA-N
Molecular Weight 465.630 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6629
Solvent DMSO-d6
Source Vendor ID: NMR/12328903