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5-[4-(benzyloxy)-3-methoxyphenyl]-2-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
SpectraBase Compound ID 1RCwkDRGoG4
InChI InChI=1S/C27H23N3O4/c1-33-22-14-19(12-13-21(22)34-16-17-8-4-2-5-9-17)20-15-23(31)28-26-24(20)27(32)30-25(29-26)18-10-6-3-7-11-18/h2-14,20H,15-16H2,1H3,(H2,28,29,30,31,32)
InChIKey HQXUXTUUGBWZGT-UHFFFAOYSA-N
Mol Weight 453.5 g/mol
Molecular Formula C27H23N3O4
Exact Mass 453.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gk5seWOutSr
Name 5-[4-(Benzyloxy)-3-methoxyphenyl]-2-phenyl-5,8-dihydropyrido[2,3-D]pyrimidine-4,7(3H,6H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.168856229 u
Formula C27H23N3O4
InChI InChI=1S/C27H23N3O4/c1-33-22-14-19(12-13-21(22)34-16-17-8-4-2-5-9-17)20-15-23(31)28-26-24(20)27(32)30-25(29-26)18-10-6-3-7-11-18/h2-14,20H,15-16H2,1H3,(H2,28,29,30,31,32)
InChIKey HQXUXTUUGBWZGT-UHFFFAOYSA-N
Molecular Weight 453.498 g/mol
SMILES N1C(C2=C(N=C1C1=CC=CC=C1)NC(CC2C1=CC(OC)=C(C=C1)OCC1=CC=CC=C1)=O)=O