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3-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHOXYMETHYL]-7-(4-BrOMOPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID 6ix3j5OxC8Y
InChI InChI=1S/C16H15BrN2O5S/c17-10-3-1-9(2-4-10)12-7-25-14-13(12)18-16(23)19(15(14)22)8-24-11(5-20)6-21/h1-4,7,11,20-21H,5-6,8H2,(H,18,23)
InChIKey LEKZGPYPPMUYRZ-UHFFFAOYSA-N
Mol Weight 427.27 g/mol
Molecular Formula C16H15BrN2O5S
Exact Mass 425.988506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lSu4bANahB
Name 3-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHOXYMETHYL]-7-(4-BrOMOPHENYL)-THIENO-[3,2-D]-PYRIMIDINE-2,4-DIONE
Compound Number 14G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15BrN2O5S
InChI InChI=1S/C16H15BrN2O5S/c17-10-3-1-9(2-4-10)12-7-25-14-13(12)18-16(23)19(15(14)22)8-24-11(5-20)6-21/h1-4,7,11,20-21H,5-6,8H2,(H,18,23)
InChIKey LEKZGPYPPMUYRZ-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 427.270 g/mol
Solvent DMSO-D6
Source File Reference UWCS16759