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(3.alpha.,20.alpha.)-1-(Dibromo-4-carbomethoxyanilino)-4-hydroxy-anthraquinone
SpectraBase Compound ID 5yLaSeajM4R
InChI InChI=1S/C22H13Br2NO5/c1-30-22(29)11-6-7-15(14(23)10-11)25(24)16-8-9-17(26)19-18(16)20(27)12-4-2-3-5-13(12)21(19)28/h2-10,26H,1H3
InChIKey VRFIIFUNPNBTPE-UHFFFAOYSA-N
Mol Weight 531.16 g/mol
Molecular Formula C22H13Br2NO5
Exact Mass 528.916049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcVWyW5GvkV
Name (3.alpha.,20.alpha.)-1-(Dibromo-4-carbomethoxyanilino)-4-hydroxy-anthraquinone
Alternate Name(s) Methyl 3-bromo-4-[bromo(4-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13Br2NO5
InChI InChI=1S/C22H13Br2NO5/c1-30-22(29)11-6-7-15(14(23)10-11)25(24)16-8-9-17(26)19-18(16)20(27)12-4-2-3-5-13(12)21(19)28/h2-10,26H,1H3
InChIKey VRFIIFUNPNBTPE-UHFFFAOYSA-N
Molecular Weight 531.156 g/mol
SMILES Oc1c2c(C(c3c(cccc3)C2=O)=O)c(N(c2c(cc(C(=O)OC)cc2)Br)Br)cc1
SPLASH splash10-0udi-0000940000-d46c9374e6ef8d1d9976
Source of Spectrum IC-1251-0-0
Wiley ID 1403180