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4-keto-2-(trichloromethyl)-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid methyl ester
SpectraBase Compound ID Jz6DAumnZmS
InChI InChI=1S/C9H5Cl3N2O3S/c1-17-7(16)4-2-3-5(15)13-8(9(10,11)12)14-6(3)18-4/h2H,1H3,(H,13,14,15)
InChIKey YXSSZWLFCLRWGH-UHFFFAOYSA-N
Mol Weight 327.57 g/mol
Molecular Formula C9H5Cl3N2O3S
Exact Mass 325.908646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EECw38stPgW
Name 4-keto-2-(trichloromethyl)-3H-thieno[5,4-d]pyrimidine-6-carboxylic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5Cl3N2O3S
InChI InChI=1S/C9H5Cl3N2O3S/c1-17-7(16)4-2-3-5(15)13-8(9(10,11)12)14-6(3)18-4/h2H,1H3,(H,13,14,15)
InChIKey YXSSZWLFCLRWGH-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 327.569 g/mol
Source File Reference MHKO26298