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N,O,O-Tris(2,2,2-trichloroethoxycarbonyl)-5-methoxy-1,4-dihydroxy-9,10-anthraquinone 10-imine
SpectraBase Compound ID 3XAzJE1mBtl
InChI InChI=1S/C24H14Cl9NO10/c1-39-11-4-2-3-10-14(11)17(34-19(36)40-7-22(25,26)27)15-12(43-20(37)41-8-23(28,29)30)5-6-13(16(15)18(10)35)44-21(38)42-9-24(31,32)33/h2-6H,7-9H2,1H3/b34-17+
InChIKey YDHKCFHXLPNZDN-KVAAJVFYSA-N
Mol Weight 795.4 g/mol
Molecular Formula C24H14Cl9NO10
Exact Mass 790.781445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2NWfCPwWLF
Name N,O,O-Tris(2,2,2-trichloroethoxycarbonyl)-5-methoxy-1,4-dihydroxy-9,10-anthraquinone 10-imine
Comments Less than 3 mono-isotopic peaks
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Formula C24H14Cl9NO10
InChI InChI=1S/C24H14Cl9NO10/c1-39-11-4-2-3-10-14(11)17(34-19(36)40-7-22(25,26)27)15-12(43-20(37)41-8-23(28,29)30)5-6-13(16(15)18(10)35)44-21(38)42-9-24(31,32)33/h2-6H,7-9H2,1H3/b34-17+
InChIKey YDHKCFHXLPNZDN-KVAAJVFYSA-N
Molecular Weight 795.450 g/mol
SMILES c12c(C(=O)c3c(\C2=N\C(=O)OCC(Cl)(Cl)Cl)c(OC)ccc3)c(OC(=O)OCC(Cl)(Cl)Cl)ccc1OC(=O)OCC(Cl)(Cl)Cl
SPLASH splash10-0002-9000000000-3d335769942fa4352d98
Source of Spectrum J-58-7411-14
Synonyms (10E)-5-methoxy-9-oxo-10-{[(E)-oxo(2,2,2-trichloroethoxy)methyl]imino}-4-{[(2,2,2-trichloroethoxy)carbonyl]oxy}-9,10-dihydro-1-anthracenyl 2,2,2-trichloroethyl carbonate
Wiley ID 1417039