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1-Hydroxy-4-(4-methylsulphonyloxyanilino)anthraquinone
SpectraBase Compound ID 1pyLhPwVhz7
InChI InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey NTZOUXAZCADJBZ-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C21H15NO6S
Exact Mass 409.062008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22dNd8VbG39
Name 1-Hydroxy-4-(4-methylsulphonyloxyanilino)anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO6S
InChI InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey NTZOUXAZCADJBZ-UHFFFAOYSA-N
Molecular Weight 409.412 g/mol
SMILES Oc1c2c(c(cc1)Nc1ccc(OS(=O)(=O)C)cc1)C(c1c(C2=O)cccc1)=O
SPLASH splash10-001i-0009100000-179e2ab4bad90bdb409c
Source of Spectrum IC-1124-0-0
Synonyms 4-[(4-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]phenyl methanesulfonate Methanesulfonic acid[4-[(4-hydroxy-9,10-diketo-1-anthryl)amino]phenyl]ester Methanesulfonic acid[4-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]ester [4-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]methanesulfonate [4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]methanesulfonate [4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl]methanesulfonate Methanesulfonic acid [4-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl] ester [4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate [4-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl] methanesulfonate [4-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]phenyl] methanesulfonate
Wiley ID 1373298