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N,O,O-Tris(2,2,2-trichloroethoxycarbonyl)-1,4-dihydroxy-9,10-anthraquinone Monoimine
SpectraBase Compound ID 63HRsnL9wk8
InChI InChI=1S/C23H12Cl9NO9/c24-21(25,26)7-38-18(35)33-16-10-3-1-2-4-11(10)17(34)15-13(42-20(37)40-9-23(30,31)32)6-5-12(14(15)16)41-19(36)39-8-22(27,28)29/h1-6H,7-9H2/b33-16+
InChIKey LEQHEQIRIJFHER-MHDJOFBISA-N
Mol Weight 765.4 g/mol
Molecular Formula C23H12Cl9NO9
Exact Mass 760.77088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3q7G76SoQan
Name N,O,O-Tris(2,2,2-trichloroethoxycarbonyl)-1,4-dihydroxy-9,10-anthraquinone Monoimine
Comments Less than 3 mono-isotopic peaks
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Formula C23H12Cl9NO9
InChI InChI=1S/C23H12Cl9NO9/c24-21(25,26)7-38-18(35)33-16-10-3-1-2-4-11(10)17(34)15-13(42-20(37)40-9-23(30,31)32)6-5-12(14(15)16)41-19(36)39-8-22(27,28)29/h1-6H,7-9H2/b33-16+
InChIKey LEQHEQIRIJFHER-MHDJOFBISA-N
Molecular Weight 765.424 g/mol
SMILES c12c(C(=O)c3c(\C2=N\C(=O)OCC(Cl)(Cl)Cl)cccc3)c(OC(=O)OCC(Cl)(Cl)Cl)ccc1OC(=O)OCC(Cl)(Cl)Cl
SPLASH splash10-03di-0090000000-bc0f1f1c6a2dc4dd07bb
Source of Spectrum J-58-7411-13
Synonyms (10E)-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 1416526