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Methyl hydrogen 2-[(1',4'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthracen-2'-yl)methylene]butanedioate
SpectraBase Compound ID 4fwc5x40Q4B
InChI InChI=1S/C22H18O8/c1-28-15-9-11(8-12(10-16(23)24)22(27)30-3)21(29-2)18-17(15)19(25)13-6-4-5-7-14(13)20(18)26/h4-9H,10H2,1-3H3,(H,23,24)/b12-8+
InChIKey YXVYGFMFEDLSFA-XYOKQWHBSA-N
Mol Weight 410.38 g/mol
Molecular Formula C22H18O8
Exact Mass 410.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzGAKkdryi1
Name Methyl hydrogen 2-[(1',4'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthracen-2'-yl)methylene]butanedioate
Alternate Name(s) (3E)-4-(1,4-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-(methoxycarbonyl)-3-butenoic acid Methyl hydrogen 2-[(1,4-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methylene]butanedioate
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Formula C22H18O8
InChI InChI=1S/C22H18O8/c1-28-15-9-11(8-12(10-16(23)24)22(27)30-3)21(29-2)18-17(15)19(25)13-6-4-5-7-14(13)20(18)26/h4-9H,10H2,1-3H3,(H,23,24)/b12-8+
InChIKey YXVYGFMFEDLSFA-XYOKQWHBSA-N
Molecular Weight 410.378 g/mol
SMILES OC(C\C(=C/c1cc(c2c(C(=O)c3c(C2=O)cccc3)c1OC)OC)C(=O)OC)=O
SPLASH splash10-014i-0009000000-bde1c98089b2a14bbc7b
Source of Spectrum B-47-441-0
Wiley ID 1373600