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Benzyl 4,5-dichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-9H-xanthen-2-carboxylate
SpectraBase Compound ID AQZjt20dDcO
InChI InChI=1S/C23H16Cl2O7/c1-10-8-12(30-2)16(24)21-13(10)18(26)14-19(27)15(20(28)17(25)22(14)32-21)23(29)31-9-11-6-4-3-5-7-11/h3-8,27-28H,9H2,1-2H3
InChIKey WLVGRRRMUIPOMD-UHFFFAOYSA-N
Mol Weight 475.28 g/mol
Molecular Formula C23H16Cl2O7
Exact Mass 474.027308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrnUUs2GHMV
Name Benzyl 4,5-dichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-9H-xanthen-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C23H16Cl2O7
InChI InChI=1S/C23H16Cl2O7/c1-10-8-12(30-2)16(24)21-13(10)18(26)14-19(27)15(20(28)17(25)22(14)32-21)23(29)31-9-11-6-4-3-5-7-11/h3-8,27-28H,9H2,1-2H3
InChIKey WLVGRRRMUIPOMD-UHFFFAOYSA-N
Molecular Weight 475.280 g/mol
SMILES Oc1c(c(c(c2c1C(c1c(O2)c(c(cc1C)OC)Cl)=O)Cl)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-681cc01d5626bc5630e7
Source of Spectrum B-44-1161-18
Synonyms benzyl 4,5-dichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-9H-xanthene-2-carboxylate
Wiley ID 1393774