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2-(3-acetyl-4,5-dihydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
SpectraBase Compound ID 89F4FDGH3dc
InChI InChI=1S/C19H14O7/c1-8(20)14-9(7-13(22)26-2)6-11-16(18(14)24)19(25)15-10(17(11)23)4-3-5-12(15)21/h3-6,21,24H,7H2,1-2H3
InChIKey XJIJYLAICXTKPT-UHFFFAOYSA-N
Mol Weight 354.31 g/mol
Molecular Formula C19H14O7
Exact Mass 354.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TuWzYGRlo
Name 2-(3-acetyl-4,5-dihydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O7
InChI InChI=1S/C19H14O7/c1-8(20)14-9(7-13(22)26-2)6-11-16(18(14)24)19(25)15-10(17(11)23)4-3-5-12(15)21/h3-6,21,24H,7H2,1-2H3
InChIKey XJIJYLAICXTKPT-UHFFFAOYSA-N
Molecular Weight 354.314 g/mol
SMILES Oc1c2C(c3c(c(c(cc3C(c2ccc1)=O)CC(=O)OC)C(=O)C)O)=O
SPLASH splash10-0zfu-0049000000-3c05e0c779f7ae074ea3
Source of Spectrum J-65-2855-10
Synonyms 2-(3-acetyl-4,5-dihydroxy-9,10-dioxo-2-anthracenyl)acetic acid methyl ester Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxo-2-anthryl)acetate Methyl 2-(3-acetyl-4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetate Methyl 2-[3-ethanoyl-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]ethanoate
Wiley ID 1532521