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9H-xanthene-3,6-diol, 9,9-dimethyl-, dibenzoate
SpectraBase Compound ID jpu1F7gD79
InChI InChI=1S/C29H22O5/c1-29(2)23-15-13-21(32-27(30)19-9-5-3-6-10-19)17-25(23)34-26-18-22(14-16-24(26)29)33-28(31)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKey ZXABFTDZDAWOFZ-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C29H22O5
Exact Mass 450.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQmJsg9OhoV
Name 9H-xanthene-3,6-diol, 9,9-dimethyl-, dibenzoate
Alternate Name(s) 9,9-Dimethyl-9H-xanthene-3,6-diyl dibenzoate Benzoic acid (6-benzoyloxy-9,9-dimethyl-3-xanthenyl) ester (6-benzoyloxy-9,9-dimethylxanthen-3-yl) benzoate (6-benzoyloxy-9,9-dimethyl-xanthen-3-yl) benzoate [9,9-dimethyl-6-(phenylcarbonyloxy)xanthen-3-yl] benzoate
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Formula C29H22O5
InChI InChI=1S/C29H22O5/c1-29(2)23-15-13-21(32-27(30)19-9-5-3-6-10-19)17-25(23)34-26-18-22(14-16-24(26)29)33-28(31)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKey ZXABFTDZDAWOFZ-UHFFFAOYSA-N
Molecular Weight 450.490 g/mol
SMILES CC1(C)c2ccc(OC(=O)c3ccccc3)cc2Oc2cc(OC(=O)c3ccccc3)ccc12
SPLASH splash10-0550-5800900000-039763017051736eb292
Source of Spectrum JX-2015-4-609
Wiley ID 1726034