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1-(4,6-Dimethyl-2-pyrimidinyl)-3-(4-methylbenzyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 3rKX1KJ5Ykq
InChI InChI=1S/C18H19N3O2/c1-11-4-6-14(7-5-11)9-15-10-16(22)21(17(15)23)18-19-12(2)8-13(3)20-18/h4-8,15H,9-10H2,1-3H3
InChIKey RPVRFDSXMTXJPS-UHFFFAOYSA-N
Mol Weight 309.37 g/mol
Molecular Formula C18H19N3O2
Exact Mass 309.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFFV7rg9lLu
Name 1-(4,6-Dimethyl-2-pyrimidinyl)-3-(4-methylbenzyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
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Exact Mass 309.147726862 u
Formula C18H19N3O2
InChI InChI=1S/C18H19N3O2/c1-11-4-6-14(7-5-11)9-15-10-16(22)21(17(15)23)18-19-12(2)8-13(3)20-18/h4-8,15H,9-10H2,1-3H3
InChIKey RPVRFDSXMTXJPS-UHFFFAOYSA-N
Molecular Weight 309.369 g/mol
SMILES CC1=CC=C(CC2C(N(C3=NC(C)=CC(=N3)C)C(C2)=O)=O)C=C1