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O-(2,2,2-trichloroethoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxazine-2,7-dione
SpectraBase Compound ID 79hIQTosNw9
InChI InChI=1S/C18H8Cl3NO6/c19-18(20,21)7-26-17(25)28-11-6-5-10-12-13(11)15(23)9-4-2-1-3-8(9)14(12)22-16(24)27-10/h1-6H,7H2
InChIKey QYSTYVXQINXDLF-UHFFFAOYSA-N
Mol Weight 440.62 g/mol
Molecular Formula C18H8Cl3NO6
Exact Mass 438.94172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7y43wg2jvLa
Name O-(2,2,2-trichloroethoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxazine-2,7-dione
Alternate Name(s) 2,7-dioxo-2,7-dihydroanthra[9,1-de][1,3]oxazin-6-yl 2,2,2-trichloroethyl carbonate
Comments Less than 3 mono-isotopic peaks
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Formula C18H8Cl3NO6
InChI InChI=1S/C18H8Cl3NO6/c19-18(20,21)7-26-17(25)28-11-6-5-10-12-13(11)15(23)9-4-2-1-3-8(9)14(12)22-16(24)27-10/h1-6H,7H2
InChIKey QYSTYVXQINXDLF-UHFFFAOYSA-N
Molecular Weight 440.622 g/mol
SMILES c12c3C(=O)c4c(C2=NC(Oc1ccc3OC(=O)OCC(Cl)(Cl)Cl)=O)cccc4
SPLASH splash10-014i-0090000000-dbaeab2263fe72345549
Source of Spectrum J-58-7411-19
Wiley ID 1384368