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(phenylmethyl) 6-methyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

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(phenylmethyl) 6-methyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SpectraBase Compound ID ACEmCOkld8C
InChI InChI=1S/C19H18N2O3/c1-13-16(18(22)24-12-14-8-4-2-5-9-14)17(21-19(23)20-13)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H2,20,21,23)
InChIKey XTXVIQWVFGHLRD-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2AV3yMH5FQ
Name (Phenylmethyl) 6-methyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 322.131742445 u
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-13-16(18(22)24-12-14-8-4-2-5-9-14)17(21-19(23)20-13)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H2,20,21,23)
InChIKey XTXVIQWVFGHLRD-UHFFFAOYSA-N
Molecular Weight 322.364 g/mol
SMILES C1(NC(C(=C(N1)C)C(=O)OCC=1C=CC=CC1)C=1C=CC=CC1)=O