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4-keto-5-methyl-2-(trichloromethyl)-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 5U8hmMdbLgi
InChI InChI=1S/C11H9Cl3N2O3S/c1-3-19-9(18)6-4(2)5-7(17)15-10(11(12,13)14)16-8(5)20-6/h3H2,1-2H3,(H,15,16,17)
InChIKey OWOGJNQYWSTLLK-UHFFFAOYSA-N
Mol Weight 355.62 g/mol
Molecular Formula C11H9Cl3N2O3S
Exact Mass 353.939946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 816KLdBrZCB
Name 4-keto-5-methyl-2-(trichloromethyl)-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9Cl3N2O3S
InChI InChI=1S/C11H9Cl3N2O3S/c1-3-19-9(18)6-4(2)5-7(17)15-10(11(12,13)14)16-8(5)20-6/h3H2,1-2H3,(H,15,16,17)
InChIKey OWOGJNQYWSTLLK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 355.623 g/mol
Source File Reference MHKO26299