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2-Furancarboxylic acid, 3,5-bis[(2-furanylcarbonyl)oxy]phenyl ester
SpectraBase Compound ID Asp57tMlANF
InChI InChI=1S/C21H12O9/c22-19(16-4-1-7-25-16)28-13-10-14(29-20(23)17-5-2-8-26-17)12-15(11-13)30-21(24)18-6-3-9-27-18/h1-12H
InChIKey WFXJNBQBBYDZNQ-UHFFFAOYSA-N
Mol Weight 408.32 g/mol
Molecular Formula C21H12O9
Exact Mass 408.048132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KegYtSwOZxD
Name 2-Furancarboxylic acid, 3,5-bis[(2-furanylcarbonyl)oxy]phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.048131957 u
Formula C21H12O9
InChI InChI=1S/C21H12O9/c22-19(16-4-1-7-25-16)28-13-10-14(29-20(23)17-5-2-8-26-17)12-15(11-13)30-21(24)18-6-3-9-27-18/h1-12H
InChIKey WFXJNBQBBYDZNQ-UHFFFAOYSA-N
Molecular Weight 408.318 g/mol
SMILES C(C=1OC=CC1)(OC=1C=C(OC(C=2OC=CC2)=O)C=C(C1)OC(C=1OC=CC1)=O)=O