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2-[[1-(butylthio)-9,10-diketo-anthracene-2-carbonyl]amino]acetic acid ethyl ester
SpectraBase Compound ID Ip2fduXIv6S
InChI InChI=1S/C23H23NO5S/c1-3-5-12-30-22-17(23(28)24-13-18(25)29-4-2)11-10-16-19(22)21(27)15-9-7-6-8-14(15)20(16)26/h6-11H,3-5,12-13H2,1-2H3,(H,24,28)
InChIKey SMPDGGKOGQSJOM-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C23H23NO5S
Exact Mass 425.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEK3lZCbD1u
Name 2-[[1-(butylthio)-9,10-diketo-anthracene-2-carbonyl]amino]acetic acid ethyl ester
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Formula C23H23NO5S
InChI InChI=1S/C23H23NO5S/c1-3-5-12-30-22-17(23(28)24-13-18(25)29-4-2)11-10-16-19(22)21(27)15-9-7-6-8-14(15)20(16)26/h6-11H,3-5,12-13H2,1-2H3,(H,24,28)
InChIKey SMPDGGKOGQSJOM-UHFFFAOYSA-N
Molecular Weight 425.499 g/mol
SMILES N(C(c1c(c2C(c3ccccc3C(c2cc1)=O)=O)SCCCC)=O)CC(=O)OCC
SPLASH splash10-0016-4491000000-53521e3b2b7175f357ef
Synonyms 2-[[[1-(butylthio)-9,10-dioxo-2-anthracenyl]-oxomethyl]amino]acetic acid ethyl ester Ethyl 2-[(1-butylsulfanyl-9,10-dioxo-anthracene-2-carbonyl)amino]acetate Ethyl 2-[[1-butylsulfanyl-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]ethanoate
Wiley ID 1443971