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Ethyl 3-benzyl-2-methyl-4-oxo-3,11b-dihydro-4H-pyrimido[6,1-a]isoquinoline-1-carboxylate
SpectraBase Compound ID La238wLWa3q
InChI InChI=1S/C23H22N2O3/c1-3-28-22(26)20-16(2)25(15-17-9-5-4-6-10-17)23(27)24-14-13-18-11-7-8-12-19(18)21(20)24/h4-14,21H,3,15H2,1-2H3
InChIKey WLGDIDKFTZEZDS-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C23H22N2O3
Exact Mass 374.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmF2qSi6uC7
Name Ethyl 3-benzyl-2-methyl-4-oxo-3,11B-dihydro-4H-pyrimido[6,1-A]isoquinoline-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 374.163042573 u
Formula C23H22N2O3
InChI InChI=1S/C23H22N2O3/c1-3-28-22(26)20-16(2)25(15-17-9-5-4-6-10-17)23(27)24-14-13-18-11-7-8-12-19(18)21(20)24/h4-14,21H,3,15H2,1-2H3
InChIKey WLGDIDKFTZEZDS-UHFFFAOYSA-N
Molecular Weight 374.440 g/mol
SMILES C1(=C(N(CC2=CC=CC=C2)C(N2C1C1=C(C=C2)C=CC=C1)=O)C)C(=O)OCC