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DIMETHYL-4,4'-[1,8-DIOXOOCTANE-1,8-DIYLDI-(PARA-PHENYLENE)]-DIBUTANOATE
SpectraBase Compound ID HvvfjFb4bUc
InChI InChI=1S/C30H38O6/c1-35-29(33)13-7-9-23-15-19-25(20-16-23)27(31)11-5-3-4-6-12-28(32)26-21-17-24(18-22-26)10-8-14-30(34)36-2/h15-22H,3-14H2,1-2H3
InChIKey HKGLAVLNRPGPJT-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C30H38O6
Exact Mass 494.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SmDn7l6ksh
Name Dimethyl 4,4'-[1,8-dioxooctane-1,8-diyldi(p-phenylene)]dibutanoate
Alternate Name(s) 4-[4-[8-[4-(4-methoxy-4-oxobutyl)phenyl]-1,8-dioxooctyl]phenyl]butanoic acid methyl ester Methyl 4-[4-[8-[4-(4-methoxy-4-oxobutyl)phenyl]-8-oxooctanoyl]phenyl]butanoate Methyl 4-[4-[8-[4-(4-methoxy-4-oxo-butyl)phenyl]-8-oxo-octanoyl]phenyl]butanoate Methyl 4-[4-[8-[4-(4-methoxy-4-oxidanylidene-butyl)phenyl]-8-oxidanylidene-octanoyl]phenyl]butanoate
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Formula C30H38O6
InChI InChI=1S/C30H38O6/c1-35-29(33)13-7-9-23-15-19-25(20-16-23)27(31)11-5-3-4-6-12-28(32)26-21-17-24(18-22-26)10-8-14-30(34)36-2/h15-22H,3-14H2,1-2H3
InChIKey HKGLAVLNRPGPJT-UHFFFAOYSA-N
Molecular Weight 494.628 g/mol
SMILES C(=O)(OC)CCCc1ccc(C(=O)CCCCCCC(c2ccc(cc2)CCCC(=O)OC)=O)cc1
SPLASH splash10-00gi-0592200000-6b2a9bfb59f17417b635
Source of Spectrum KC-0-1145-12
Wiley ID 785662