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Ethyl 2-[2,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

Ethyl 2-[2,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
SpectraBase Compound ID 1bR1PHUuubo
InChI InChI=1S/C14H12Cl2N2O3S/c1-2-21-13(20)10-6-17-14(18-12(10)19)22-7-8-3-4-9(15)5-11(8)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKey XDAQXQFTPOZNKI-UHFFFAOYSA-N
Mol Weight 359.23 g/mol
Molecular Formula C14H12Cl2N2O3S
Exact Mass 357.994569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrZrTEFj283
Name Ethyl 2-[2,4-dichlorobenzylthio]-4-hydroxy-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 357.994568825 u
Formula C14H12Cl2N2O3S
InChI InChI=1S/C14H12Cl2N2O3S/c1-2-21-13(20)10-6-17-14(18-12(10)19)22-7-8-3-4-9(15)5-11(8)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKey XDAQXQFTPOZNKI-UHFFFAOYSA-N
Molecular Weight 359.227 g/mol
SMILES C1(Cl)=CC(=C(CSC2=NC=C(C(=N2)O)C(OCC)=O)C=C1)Cl