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Alizarin, 1,2-O-(phenylboranediyl)-
SpectraBase Compound ID KQ4abp4iURd
InChI InChI=1S/C20H11BO4/c22-18-13-8-4-5-9-14(13)19(23)17-15(18)10-11-16-20(17)25-21(24-16)12-6-2-1-3-7-12/h1-11H
InChIKey SHEGMMYWHMTSOF-UHFFFAOYSA-N
Mol Weight 326.1 g/mol
Molecular Formula C20H11BO4
Exact Mass 326.075039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3FQ1zKh6qe
Name Alizarin, 1,2-O-(phenylboranediyl)-
Alternate Name(s) 2-Phenylanthra[1,2-d][1,3,2]dioxaborole-6,11-dione 2-Phenylnaphtho[2,3-g][1,3,2]benzodioxaborole-6,11-dione 2-Phenylnaphtho[2,3-g][1,3,2]benzodioxaborole-6,11-quinone
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Formula C20H11BO4
InChI InChI=1S/C20H11BO4/c22-18-13-8-4-5-9-14(13)19(23)17-15(18)10-11-16-20(17)25-21(24-16)12-6-2-1-3-7-12/h1-11H
InChIKey SHEGMMYWHMTSOF-UHFFFAOYSA-N
Molecular Weight 326.114 g/mol
SMILES C1(=O)c2c(C(c3ccccc13)=O)c1OB(Oc1cc2)c1ccccc1
SPLASH splash10-004i-1349000000-190b3125c6bdc81931c2
Wiley ID 1493221