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1,4-Dimethoxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dipropanoic acid
SpectraBase Compound ID ApTwqqI7Ip4
InChI InChI=1S/C22H20O8/c1-29-21-13(7-9-15(23)24)14(8-10-16(25)26)22(30-2)18-17(21)19(27)11-5-3-4-6-12(11)20(18)28/h3-6H,7-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKey GZSMPPSMRUYBPV-UHFFFAOYSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbVgnzSlPLL
Name 1,4-Dimethoxy-9,10-dioxo-9,10-dihydroanthracene-2,3-dipropanoic acid
Alternate Name(s) 3-[3-(2-carboxyethyl)-1,4-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-29-21-13(7-9-15(23)24)14(8-10-16(25)26)22(30-2)18-17(21)19(27)11-5-3-4-6-12(11)20(18)28/h3-6H,7-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKey GZSMPPSMRUYBPV-UHFFFAOYSA-N
Molecular Weight 412.394 g/mol
SMILES OC(CCc1c(CCC(=O)O)c(c2c(c1OC)C(c1c(C2=O)cccc1)=O)OC)=O
SPLASH splash10-0006-4091000000-c3769bf4ebe7056cb07c
Source of Spectrum B-48-1089-0
Wiley ID 1374393