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2,4,6-Tris(4-methoxyphenyl)-5-propyl-pyrimidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,4,6-Tris(4-methoxyphenyl)-5-propyl-pyrimidine
SpectraBase Compound ID GKtemLtGJ4b
InChI InChI=1S/C28H28N2O3/c1-5-6-25-26(19-7-13-22(31-2)14-8-19)29-28(21-11-17-24(33-4)18-12-21)30-27(25)20-9-15-23(32-3)16-10-20/h7-18H,5-6H2,1-4H3
InChIKey XPUBHNFEEUHRKH-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C28H28N2O3
Exact Mass 440.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2TeVialyoH
Name 2,4,6-Tris(4-methoxyphenyl)-5-propyl-pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 440.209992767 u
Formula C28H28N2O3
InChI InChI=1S/C28H28N2O3/c1-5-6-25-26(19-7-13-22(31-2)14-8-19)29-28(21-11-17-24(33-4)18-12-21)30-27(25)20-9-15-23(32-3)16-10-20/h7-18H,5-6H2,1-4H3
InChIKey XPUBHNFEEUHRKH-UHFFFAOYSA-N
Molecular Weight 440.543 g/mol
SMILES C=1(N=C(C(=C(N1)C=1C=CC(=CC1)OC)CCC)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC