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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqwlfGuFOBt
Name Pentanedioic acid, bis(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
CAS Registry Number 64852-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c12OC(=O)C=C(c2ccc(c1)OC(=O)CCCC(Oc1cc2OC(=O)C=C(c2cc1)C)=O)C
SPLASH splash10-03di-0910000000-0972199c8044e4f8acaa
Source of Spectrum O-12-227-2
Synonyms bis(4-methyl-2-oxo-2H-chromen-7-yl) pentanedioate Di-coumarinyl-7 heptan-1,7-dioate N-pentane-1,5-7-coumarinyl diester
Wiley ID 1387163