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2-(1-(2,5-dimethylbenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID 9XkteAjAedT
InChI InChI=1S/C25H25N3O3S/c1-16-5-8-19(9-6-16)13-26-22(29)15-28-24(30)23-21(10-11-32-23)27(25(28)31)14-20-12-17(2)4-7-18(20)3/h4-12H,13-15H2,1-3H3,(H,26,29)
InChIKey QTCGVPCPCGBJBN-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J34Sf5FK5J4
Name 2-(1-(2,5-dimethylbenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-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 447.161662848 u
Formula C25H25N3O3S
InChI InChI=1S/C25H25N3O3S/c1-16-5-8-19(9-6-16)13-26-22(29)15-28-24(30)23-21(10-11-32-23)27(25(28)31)14-20-12-17(2)4-7-18(20)3/h4-12H,13-15H2,1-3H3,(H,26,29)
InChIKey QTCGVPCPCGBJBN-UHFFFAOYSA-N
Molecular Weight 447.553 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7367
Solvent DMSO-d6
Source Vendor ID: NMR/13218140