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1,4-Dichloro-5,8-dihydroxyanthraquinone, diacetate
SpectraBase Compound ID HdcZtcFtPaW
InChI InChI=1S/C18H10Cl2O6/c1-7(21)25-11-5-6-12(26-8(2)22)16-15(11)17(23)13-9(19)3-4-10(20)14(13)18(16)24/h3-6H,1-2H3
InChIKey FYXVCJBYGSXXSZ-UHFFFAOYSA-N
Mol Weight 393.18 g/mol
Molecular Formula C18H10Cl2O6
Exact Mass 391.985443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bel67N0v0q
Name 1,4-Dichloro-5,8-dihydroxyanthraquinone, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 391.985443436 u
Formula C18H10Cl2O6
InChI InChI=1S/C18H10Cl2O6/c1-7(21)25-11-5-6-12(26-8(2)22)16-15(11)17(23)13-9(19)3-4-10(20)14(13)18(16)24/h3-6H,1-2H3
InChIKey FYXVCJBYGSXXSZ-UHFFFAOYSA-N
Molecular Weight 393.178 g/mol
SMILES C1(Cl)=C2C(=C(C=C1)Cl)C(=O)C=1C(C2=O)=C(C=CC1OC(C)=O)OC(C)=O