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1,2,4-Tris(4-methoxyphenyl)-butane-1,4-dione

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

1,2,4-Tris(4-methoxyphenyl)-butane-1,4-dione
SpectraBase Compound ID HzvORhsAP6v
InChI InChI=1S/C25H24O5/c1-28-20-10-4-17(5-11-20)23(25(27)19-8-14-22(30-3)15-9-19)16-24(26)18-6-12-21(29-2)13-7-18/h4-15,23H,16H2,1-3H3
InChIKey PWUQVHCXQDBITQ-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C25H24O5
Exact Mass 404.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TOQlBIsnLy
Name 1,2,4-Tris(4-methoxyphenyl)-butane-1,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 404.162373868 u
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-28-20-10-4-17(5-11-20)23(25(27)19-8-14-22(30-3)15-9-19)16-24(26)18-6-12-21(29-2)13-7-18/h4-15,23H,16H2,1-3H3
InChIKey PWUQVHCXQDBITQ-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES C(C(CC(=O)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)(=O)C=1C=CC(=CC1)OC