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1-(4-methyl-2-oxohexyl)-3-[4-(4-methylphenyl)-2-oxobutyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
SpectraBase Compound ID 9pcxZ9qCME5
InChI InChI=1S/C22H26N4O4S/c1-4-15(3)24-19(28)13-25-17-9-10-31-20(17)21(29)26(22(25)30)12-18(27)23-11-16-7-5-14(2)6-8-16/h5-10,15H,4,11-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKey PYADFKVOTMAPTN-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C22H26N4O4S
Exact Mass 442.167477 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GecfQq9QsTI
Name 1-(4-methyl-2-oxohexyl)-3-[4-(4-methylphenyl)-2-oxobutyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.167476503 u
Formula C22H26N4O4S
InChI InChI=1S/C22H26N4O4S/c1-4-15(3)24-19(28)13-25-17-9-10-31-20(17)21(29)26(22(25)30)12-18(27)23-11-16-7-5-14(2)6-8-16/h5-10,15H,4,11-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKey PYADFKVOTMAPTN-UHFFFAOYSA-N
Molecular Weight 442.534 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8012
Solvent DMSO-d6
Source Vendor ID: NMR/13218978