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2-(1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID 919RKuu97dv
InChI InChI=1S/C23H20ClN3O3S/c1-15-2-4-16(5-3-15)12-25-20(28)14-27-22(29)21-19(10-11-31-21)26(23(27)30)13-17-6-8-18(24)9-7-17/h2-11H,12-14H2,1H3,(H,25,28)
InChIKey PQPWWFQTSVTRSO-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aSpl9bOAMp
Name 2-(1-(4-chlorobenzyl)-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 453.091390387 u
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-15-2-4-16(5-3-15)12-25-20(28)14-27-22(29)21-19(10-11-31-21)26(23(27)30)13-17-6-8-18(24)9-7-17/h2-11H,12-14H2,1H3,(H,25,28)
InChIKey PQPWWFQTSVTRSO-UHFFFAOYSA-N
Molecular Weight 453.944 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8005
Solvent DMSO-d6
Source Vendor ID: NMR/13218971