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Rhein ME
SpectraBase Compound ID LmuzmbfAVPg
InChI InChI=1S/C16H10O6/c1-22-16(21)7-5-9-13(11(18)6-7)15(20)12-8(14(9)19)3-2-4-10(12)17/h2-6,17-18H,1H3
InChIKey SGDMEGYCHABPCQ-UHFFFAOYSA-N
Mol Weight 298.25 g/mol
Molecular Formula C16H10O6
Exact Mass 298.047738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 115xRxFox9V
Name Rhein methyl ester
Alternate Name(s) Methyl 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
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Formula C16H10O6
InChI InChI=1S/C16H10O6/c1-22-16(21)7-5-9-13(11(18)6-7)15(20)12-8(14(9)19)3-2-4-10(12)17/h2-6,17-18H,1H3
InChIKey SGDMEGYCHABPCQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100154
Molecular Weight 298.250 g/mol
SMILES Oc1c2C(c3c(cccc3C(c2cc(c1)C(OC)=O)=O)O)=O
SPLASH splash10-00kb-0090000000-36c810fcfd9f34d15cac
Source of Spectrum QA-48-1056-14
Wiley ID 1795455