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Acetic acid, 2-[[[1-(ethylthio)-9,10-dihydro-9,10-dioxo-2-anthracenyl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID CHeyAVh5e7i
InChI InChI=1S/C20H17NO5S/c1-3-27-19-14(20(25)21-10-15(22)26-2)9-8-13-16(19)18(24)12-7-5-4-6-11(12)17(13)23/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKey ZRBNGDNRCNMILH-UHFFFAOYSA-N
Mol Weight 383.42 g/mol
Molecular Formula C20H17NO5S
Exact Mass 383.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T55A9OaSEM
Name Acetic acid, 2-[[[1-(ethylthio)-9,10-dihydro-9,10-dioxo-2-anthracenyl]carbonyl]amino]-, methyl ester
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Formula C20H17NO5S
InChI InChI=1S/C20H17NO5S/c1-3-27-19-14(20(25)21-10-15(22)26-2)9-8-13-16(19)18(24)12-7-5-4-6-11(12)17(13)23/h4-9H,3,10H2,1-2H3,(H,21,25)
InChIKey ZRBNGDNRCNMILH-UHFFFAOYSA-N
Molecular Weight 383.418 g/mol
SMILES N(C(c1c(c2C(c3ccccc3C(c2cc1)=O)=O)SCC)=O)CC(=O)OC
SPLASH splash10-0006-0290000000-32fccf5080ba0dd9e369
Source of Spectrum IY-2-4975-8
Synonyms Methyl 2-{[1-(ethylsulfanyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]formamido}acetate 2-[[[1-(ethylthio)-9,10-dioxo-2-anthracenyl]-oxomethyl]amino]acetic acid methyl ester Methyl 2-[(1-ethylsulfanyl-9,10-dioxoanthracene-2-carbonyl)amino]acetate Methyl 2-[(1-ethylsulfanyl-9,10-dioxo-anthracene-2-carbonyl)amino]acetate Methyl 2-[[1-ethylsulfanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]ethanoate
Wiley ID 1657741