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Acetic acid, trifluoro-, (9,10-dihydro-1,8-dimethoxy-9,10-dioxo-2-anthracenyl)methyl ester
SpectraBase Compound ID 8ZchLLOFs6r
InChI InChI=1S/C19H13F3O6/c1-26-12-5-3-4-10-13(12)16(24)14-11(15(10)23)7-6-9(17(14)27-2)8-28-18(25)19(20,21)22/h3-7H,8H2,1-2H3
InChIKey XLKXEBHERALPHB-UHFFFAOYSA-N
Mol Weight 394.3 g/mol
Molecular Formula C19H13F3O6
Exact Mass 394.066423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRyKPGUBbkX
Name Acetic acid, trifluoro-, (9,10-dihydro-1,8-dimethoxy-9,10-dioxo-2-anthracenyl)methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.066422622 u
Formula C19H13F3O6
InChI InChI=1S/C19H13F3O6/c1-26-12-5-3-4-10-13(12)16(24)14-11(15(10)23)7-6-9(17(14)27-2)8-28-18(25)19(20,21)22/h3-7H,8H2,1-2H3
InChIKey XLKXEBHERALPHB-UHFFFAOYSA-N
Molecular Weight 394.302 g/mol
SMILES C12=C(C(C=3C(C2=O)=CC=C(C3OC)COC(=O)C(F)(F)F)=O)C(=CC=C1)OC