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N-(4-bromophenyl)-1-(methylthio)-9,10-dioxo-2-anthracenecarboxamide
SpectraBase Compound ID AEJmE1YNVB5
InChI InChI=1S/C22H14BrNO3S/c1-28-21-17(22(27)24-13-8-6-12(23)7-9-13)11-10-16-18(21)20(26)15-5-3-2-4-14(15)19(16)25/h2-11H,1H3,(H,24,27)
InChIKey RUVBUXYETHZRHU-UHFFFAOYSA-N
Mol Weight 452.32 g/mol
Molecular Formula C22H14BrNO3S
Exact Mass 450.987777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TGMJlT2Yb
Name N-(4-bromophenyl)-1-(methylthio)-9,10-dioxo-2-anthracenecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14BrNO3S
InChI InChI=1S/C22H14BrNO3S/c1-28-21-17(22(27)24-13-8-6-12(23)7-9-13)11-10-16-18(21)20(26)15-5-3-2-4-14(15)19(16)25/h2-11H,1H3,(H,24,27)
InChIKey RUVBUXYETHZRHU-UHFFFAOYSA-N
Molecular Weight 452.322 g/mol
SMILES N(C(c1c(c2C(c3ccccc3C(c2cc1)=O)=O)SC)=O)c1ccc(cc1)Br
SPLASH splash10-00e9-3940000000-528d3e117f09288ad2a9
Source of Spectrum AD-0-2532-0
Synonyms N-(4-bromophenyl)-1-methylsulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxamide N-(4-bromophenyl)-1-methylsulfanyl-9,10-dioxo-anthracene-2-carboxamide N-(4-bromophenyl)-9,10-diketo-1-(methylthio)anthracene-2-carboxamide
Wiley ID 1435980