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Methyl hydrogen 2-[(1',4'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthracen-2'-yl)methylene]butanedioate
SpectraBase Compound ID ISz22NMM21J
InChI InChI=1S/C22H20O8/c1-28-15-9-11(8-12(22(26)27)10-16(23)29-2)21(30-3)18-17(15)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,9,12H,8,10H2,1-3H3,(H,26,27)
InChIKey IGIRVMJJHHJASI-UHFFFAOYSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfWjmJMRLRx
Name Methyl hydrogen 2-[(1',4'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthracen-2'-yl)methylene]butanedioate
Comments Computed using HOSE algorithm
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Exact Mass 412.115817596 u
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-28-15-9-11(8-12(22(26)27)10-16(23)29-2)21(30-3)18-17(15)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,9,12H,8,10H2,1-3H3,(H,26,27)
InChIKey IGIRVMJJHHJASI-UHFFFAOYSA-N
Molecular Weight 412.394 g/mol
SMILES C12=C(C(=O)C3=C(C2=O)C=CC=C3)C(OC)=C(C=C1OC)CC(C(=O)O)CC(=O)OC