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Ethyl 4-(4-ethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 4-(4-ethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID w2no2xPLd
InChI InChI=1S/C16H20N2O2S/c1-4-11-6-8-12(9-7-11)14-13(15(19)20-5-2)10(3)17-16(21)18-14/h6-9,14H,4-5H2,1-3H3,(H2,17,18,21)
InChIKey SRCVKIASAFODSV-UHFFFAOYSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpdHi2NRg5L
Name Ethyl 4-(4-ethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 304.124549064 u
Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-4-11-6-8-12(9-7-11)14-13(15(19)20-5-2)10(3)17-16(21)18-14/h6-9,14H,4-5H2,1-3H3,(H2,17,18,21)
InChIKey SRCVKIASAFODSV-UHFFFAOYSA-N
Molecular Weight 304.408 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCC)C=1C=CC(=CC1)CC)=S