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2-(Methoxyacetyl)-1,3,5-trihydroxyanthraquinone
SpectraBase Compound ID CAjsOMbA15k
InChI InChI=1S/C17H12O7/c1-24-6-11(20)14-10(19)5-8-13(17(14)23)15(21)7-3-2-4-9(18)12(7)16(8)22/h2-5,18-19,23H,6H2,1H3
InChIKey RWTACFJWTIWJRC-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C17H12O7
Exact Mass 328.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID V0Nqo3vBSg
Name 2-(Methoxyacetyl)-1,3,5-trihydroxyanthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C17H12O7
InChI InChI=1S/C17H12O7/c1-24-6-11(20)14-10(19)5-8-13(17(14)23)15(21)7-3-2-4-9(18)12(7)16(8)22/h2-5,18-19,23H,6H2,1H3
InChIKey RWTACFJWTIWJRC-UHFFFAOYSA-N
Molecular Weight 328.276 g/mol
SMILES Oc1c2C(c3c(c(c(c(c3)O)C(=O)COC)O)C(c2ccc1)=O)=O
SPLASH splash10-001i-0092000000-1ad3a22ea9ba8a7ef897
Source of Spectrum SO-0-708-15
Synonyms 1,3,5-trihydroxy-2-(methoxyacetyl)anthra-9,10-quinone
Wiley ID 1544950