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1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride; 5-isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1-(methylethylidene)di-4,1-phenylene ester

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1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride; 5-isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1-(methylethylidene)di-4,1-phenylene ester
SpectraBase Compound ID 6Aqcxg3NaNR
InChI InChI=1S/C33H20O10/c1-33(2,19-5-9-21(10-6-19)40-27(34)17-3-13-23-25(15-17)31(38)42-29(23)36)20-7-11-22(12-8-20)41-28(35)18-4-14-24-26(16-18)32(39)43-30(24)37/h3-16H,1-2H3
InChIKey GRFCXTHLKTWDBI-UHFFFAOYSA-N
Mol Weight 576.5 g/mol
Molecular Formula C33H20O10
Exact Mass 576.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSQZEtmDxMz
Name 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride; 5-isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 1-(methylethylidene)di-4,1-phenylene ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.105646834 u
Formula C33H20O10
InChI InChI=1S/C33H20O10/c1-33(2,19-5-9-21(10-6-19)40-27(34)17-3-13-23-25(15-17)31(38)42-29(23)36)20-7-11-22(12-8-20)41-28(35)18-4-14-24-26(16-18)32(39)43-30(24)37/h3-16H,1-2H3
InChIKey GRFCXTHLKTWDBI-UHFFFAOYSA-N
Molecular Weight 576.513 g/mol
SMILES C12=C(C=C(C=C2)C(OC2=CC=C(C=C2)C(C)(C)C2=CC=C(C=C2)OC(C2=CC=C3C(=C2)C(OC3=O)=O)=O)=O)C(OC1=O)=O