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DIMETHYL-2,2'-DIOXO-2,2'-[HEPTAN-1,7-DIYLDI-(PARA-PHENYLENE)]-DIETHANOATE
SpectraBase Compound ID CLQ88GhsX3Q
InChI InChI=1S/C25H28O6/c1-30-24(28)22(26)20-14-10-18(11-15-20)8-6-4-3-5-7-9-19-12-16-21(17-13-19)23(27)25(29)31-2/h10-17H,3-9H2,1-2H3
InChIKey ZSMPZNSQEOYRRX-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rrAnOABxio
Name Dimethyl 2,2'-dioxo-2,2'-[heptane-1,7-diyldi(p-phenylene)]diethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-30-24(28)22(26)20-14-10-18(11-15-20)8-6-4-3-5-7-9-19-12-16-21(17-13-19)23(27)25(29)31-2/h10-17H,3-9H2,1-2H3
InChIKey ZSMPZNSQEOYRRX-UHFFFAOYSA-N
Molecular Weight 424.493 g/mol
SMILES C(C(=O)OC)(c1ccc(cc1)CCCCCCCc1ccc(C(C(=O)OC)=O)cc1)=O
SPLASH splash10-000i-0109000000-90a70df150d7eabc4c48
Source of Spectrum KC-0-1146-22
Synonyms Methyl[4-(7-{4-[methoxy(oxo)acetyl]phenyl}heptyl)phenyl](oxo)acetate 2-[4-[7-[4-(2-methoxy-1,2-dioxoethyl)phenyl]heptyl]phenyl]-2-oxoacetic acid methyl ester Methyl 2-[4-[7-[4-(2-methoxy-2-oxoacetyl)phenyl]heptyl]phenyl]-2-oxoacetate Methyl 2-[4-[7-[4-(2-methoxy-2-oxo-acetyl)phenyl]heptyl]phenyl]-2-oxo-acetate Methyl 2-[4-[7-[4-(2-methoxy-2-oxidanylidene-ethanoyl)phenyl]heptyl]phenyl]-2-oxidanylidene-ethanoate
Wiley ID 785655