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2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-9H-xanthen-9-one

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2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-9H-xanthen-9-one
SpectraBase Compound ID LhvqnZzdcFa
InChI InChI=1S/C28H22O5/c1-30-19-11-8-17(9-12-19)22-16-26-23(28(29)20-6-4-5-7-24(20)33-26)15-21(22)18-10-13-25(31-2)27(14-18)32-3/h4-16H,1-3H3
InChIKey OXAMDXRDWRJTSZ-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C28H22O5
Exact Mass 438.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyraG4GtrsS
Name 2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-9H-xanthen-9-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.146723803 u
Formula C28H22O5
InChI InChI=1S/C28H22O5/c1-30-19-11-8-17(9-12-19)22-16-26-23(28(29)20-6-4-5-7-24(20)33-26)15-21(22)18-10-13-25(31-2)27(14-18)32-3/h4-16H,1-3H3
InChIKey OXAMDXRDWRJTSZ-UHFFFAOYSA-N
Molecular Weight 438.479 g/mol
SMILES C1=2C(C=3C=CC=CC3OC2C=C(C(=C1)C=1C=C(OC)C(=CC1)OC)C=1C=CC(=CC1)OC)=O