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1-(BENZYLOXYMETHYL)-7-(4-METHOXYPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID CCXxJ532YF3
InChI InChI=1S/C21H18N2O4S/c1-26-16-9-7-15(8-10-16)17-12-28-19-18(17)23(21(25)22-20(19)24)13-27-11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,22,24,25)
InChIKey XGEBTZQEOBVIJU-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C21H18N2O4S
Exact Mass 394.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyBhm4IhDZy
Name 1-(BENZYLOXYMETHYL)-7-(4-METHOXYPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
Compound Number 15D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4S
InChI InChI=1S/C21H18N2O4S/c1-26-16-9-7-15(8-10-16)17-12-28-19-18(17)23(21(25)22-20(19)24)13-27-11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,22,24,25)
InChIKey XGEBTZQEOBVIJU-UHFFFAOYSA-N
Literature Reference Author F.JOURDAN,D.LADUREE,M.ROBBA
Literature Reference Citation J.HETCYCL.CHEM.,31,305(1994)
Literature Reference DOI 10.1002/jhet.5570310208
Molecular Weight 394.445 g/mol
Solvent DMSO-D6
Source File Reference UWCS16770