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Methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID BJu8Pg0S5xR
InChI InChI=1S/C20H20N2O3S/c1-13-17(19(23)24-2)18(22-20(26)21-13)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H2,21,22,26)
InChIKey YNUFUDUTDPPBOC-UHFFFAOYSA-N
Mol Weight 368.45 g/mol
Molecular Formula C20H20N2O3S
Exact Mass 368.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12alcxugzQi
Name Methyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 368.119463683 u
Formula C20H20N2O3S
InChI InChI=1S/C20H20N2O3S/c1-13-17(19(23)24-2)18(22-20(26)21-13)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H2,21,22,26)
InChIKey YNUFUDUTDPPBOC-UHFFFAOYSA-N
SMILES N1C(NC(C(=C1C)C(=O)OC)C1=CC=C(OCC=2C=CC=CC2)C=C1)=S