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3-(3,4-Dihydroxyphenyl)-2-phenyl-9H-xanthen-9-one

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

3-(3,4-Dihydroxyphenyl)-2-phenyl-9H-xanthen-9-one
SpectraBase Compound ID jQiPXWzMu0
InChI InChI=1S/C25H16O4/c26-21-11-10-16(12-22(21)27)19-14-24-20(13-18(19)15-6-2-1-3-7-15)25(28)17-8-4-5-9-23(17)29-24/h1-14,26-27H
InChIKey ASHQUWNHQMROTJ-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C25H16O4
Exact Mass 380.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZCKZNyb34F
Name 3-(3,4-Dihydroxyphenyl)-2-phenyl-9H-xanthen-9-one
Comments Computed using HOSE algorithm
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Exact Mass 380.104858991 u
Formula C25H16O4
InChI InChI=1S/C25H16O4/c26-21-11-10-16(12-22(21)27)19-14-24-20(13-18(19)15-6-2-1-3-7-15)25(28)17-8-4-5-9-23(17)29-24/h1-14,26-27H
InChIKey ASHQUWNHQMROTJ-UHFFFAOYSA-N
Molecular Weight 380.399 g/mol
SMILES C1=2C(C=3C=CC=CC3OC2C=C(C(=C1)C=1C=CC=CC1)C=1C=C(O)C(=CC1)O)=O