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3-hydroxy-1,8-dimethoxy-9-oxo-4-xanthenecarboxylic acid methyl ester
SpectraBase Compound ID DhIocRxgOyn
InChI InChI=1S/C17H14O7/c1-21-9-5-4-6-10-13(9)15(19)14-11(22-2)7-8(18)12(16(14)24-10)17(20)23-3/h4-7,18H,1-3H3
InChIKey LDSPHFJOHUBYLR-UHFFFAOYSA-N
Mol Weight 330.29 g/mol
Molecular Formula C17H14O7
Exact Mass 330.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OkJZJNShzr
Name 3-hydroxy-1,8-dimethoxy-9-oxo-4-xanthenecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H14O7
InChI InChI=1S/C17H14O7/c1-21-9-5-4-6-10-13(9)15(19)14-11(22-2)7-8(18)12(16(14)24-10)17(20)23-3/h4-7,18H,1-3H3
InChIKey LDSPHFJOHUBYLR-UHFFFAOYSA-N
Molecular Weight 330.292 g/mol
SMILES Oc1cc(c2C(c3c(Oc2c1C(=O)OC)cccc3OC)=O)OC
SPLASH splash10-000t-0096000000-ba3ecbbb2d1caba319e4
Source of Spectrum J-64-4056-13
Synonyms 3-hydroxy-9-keto-1,8-dimethoxy-xanthene-4-carboxylic acid methyl ester methyl 1,8-dimethoxy-3-oxidanyl-9-oxidanylidene-xanthene-4-carboxylate methyl 3-hydroxy-1,8-dimethoxy-9-oxo-xanthene-4-carboxylate
Wiley ID 1530193