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Ethyl 2-[p-chlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

Ethyl 2-[p-chlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
SpectraBase Compound ID LgKFXzDXE7k
InChI InChI=1S/C14H13ClN2O3S/c1-2-20-13(19)11-7-16-14(17-12(11)18)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,18)
InChIKey FPVHAWSPRXMTCE-UHFFFAOYSA-N
Mol Weight 324.78 g/mol
Molecular Formula C14H13ClN2O3S
Exact Mass 324.033541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7ROFq8C3GO
Name Ethyl 2-[p-chlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 324.033541158 u
Formula C14H13ClN2O3S
InChI InChI=1S/C14H13ClN2O3S/c1-2-20-13(19)11-7-16-14(17-12(11)18)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,18)
InChIKey FPVHAWSPRXMTCE-UHFFFAOYSA-N
Molecular Weight 324.782 g/mol
SMILES C(OC(=O)C1=C(O)N=C(N=C1)SCC=1C=CC(Cl)=CC1)C