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1,3-Bis(2-methoxyphenyl)-9H-xanthen-9-one

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

1,3-Bis(2-methoxyphenyl)-9H-xanthen-9-one
SpectraBase Compound ID 6oD6sM35SON
InChI InChI=1S/C27H20O4/c1-29-22-12-6-3-9-18(22)17-15-21(19-10-4-7-13-23(19)30-2)26-25(16-17)31-24-14-8-5-11-20(24)27(26)28/h3-16H,1-2H3
InChIKey WIWYPOBRTRNUHR-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C27H20O4
Exact Mass 408.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIhf29KtZ08
Name 1,3-bis(2-Methoxyphenyl)-9H-xanthen-9-one
Comments Computed using HOSE algorithm
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Exact Mass 408.136159120 u
Formula C27H20O4
InChI InChI=1S/C27H20O4/c1-29-22-12-6-3-9-18(22)17-15-21(19-10-4-7-13-23(19)30-2)26-25(16-17)31-24-14-8-5-11-20(24)27(26)28/h3-16H,1-2H3
InChIKey WIWYPOBRTRNUHR-UHFFFAOYSA-N
Molecular Weight 408.453 g/mol
SMILES C1(C=2C(=CC(=CC2OC=2C=CC=CC12)C=1C(=CC=CC1)OC)C=1C(=CC=CC1)OC)=O