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2-Anilino-4-phenyl-6-[2,2-diphenyl-2-hydroxyethyl]pyrimidine
SpectraBase Compound ID ABcpj8rsYYQ
InChI InChI=1S/C30H25N3O/c34-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)22-27-21-28(23-13-5-1-6-14-23)33-29(32-27)31-26-19-11-4-12-20-26/h1-21,34H,22H2,(H,31,32,33)
InChIKey REFRHTAJADHWNT-UHFFFAOYSA-N
Mol Weight 443.55 g/mol
Molecular Formula C30H25N3O
Exact Mass 443.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRSxIMFa5ST
Name 2-Anilino-4-phenyl-6-[2,2-diphenyl-2-hydroxyethyl]pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 443.199762436 u
Formula C30H25N3O
InChI InChI=1S/C30H25N3O/c34-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)22-27-21-28(23-13-5-1-6-14-23)33-29(32-27)31-26-19-11-4-12-20-26/h1-21,34H,22H2,(H,31,32,33)
InChIKey REFRHTAJADHWNT-UHFFFAOYSA-N
Molecular Weight 443.550 g/mol
SMILES C(O)(C1=CC=CC=C1)(CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1