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Pentanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester

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Pentanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
SpectraBase Compound ID Cp7lCzkeIBM
InChI InChI=1S/C25H20O8/c1-14-10-24(28)32-20-12-16(6-8-18(14)20)30-22(26)4-3-5-23(27)31-17-7-9-19-15(2)11-25(29)33-21(19)13-17/h6-13H,3-5H2,1-2H3
InChIKey OLKMXSIHWUXEED-UHFFFAOYSA-N
Mol Weight 448.43 g/mol
Molecular Formula C25H20O8
Exact Mass 448.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A0HYHWOsOA
Name Pentanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.115817596 u
Formula C25H20O8
InChI InChI=1S/C25H20O8/c1-14-10-24(28)32-20-12-16(6-8-18(14)20)30-22(26)4-3-5-23(27)31-17-7-9-19-15(2)11-25(29)33-21(19)13-17/h6-13H,3-5H2,1-2H3
InChIKey OLKMXSIHWUXEED-UHFFFAOYSA-N
Molecular Weight 448.427 g/mol
SMILES C=12OC(=O)C=C(C2=CC=C(C1)OC(=O)CCCC(OC=1C=C2OC(=O)C=C(C2=CC1)C)=O)C