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DIMETHYL-6,6'-DIOXO-6,6'-[UNDECAN-1,11-DIYLDI-(PARA-PHENYLENE)]-DIHEXANOATE
SpectraBase Compound ID GygQrhbDerm
InChI InChI=1S/C37H52O6/c1-42-36(40)20-14-12-18-34(38)32-26-22-30(23-27-32)16-10-8-6-4-3-5-7-9-11-17-31-24-28-33(29-25-31)35(39)19-13-15-21-37(41)43-2/h22-29H,3-21H2,1-2H3
InChIKey JEDAKLSUHOCBGL-UHFFFAOYSA-N
Mol Weight 592.8 g/mol
Molecular Formula C37H52O6
Exact Mass 592.376389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsnI48fQwNH
Name 6-keto-6-[4-[11-[4-(6-keto-6-methoxy-hexanoyl)phenyl]undecyl]phenyl]hexanoic acid methyl ester
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Formula C37H52O6
InChI InChI=1S/C37H52O6/c1-42-36(40)20-14-12-18-34(38)32-26-22-30(23-27-32)16-10-8-6-4-3-5-7-9-11-17-31-24-28-33(29-25-31)35(39)19-13-15-21-37(41)43-2/h22-29H,3-21H2,1-2H3
InChIKey JEDAKLSUHOCBGL-UHFFFAOYSA-N
Molecular Weight 592.817 g/mol
SMILES C(=O)(OC)CCCCC(c1ccc(cc1)CCCCCCCCCCCc1ccc(C(=O)CCCCC(=O)OC)cc1)=O
SPLASH splash10-001l-4900360000-d91002266877fefe43b2
Source of Spectrum KC-0-1148-36
Synonyms 6-[4-[11-[4-(6-methoxy-1,6-dioxohexyl)phenyl]undecyl]phenyl]-6-oxohexanoic acid methyl ester Methyl 6-[4-[11-[4-(6-methoxy-6-oxidanylidene-hexanoyl)phenyl]undecyl]phenyl]-6-oxidanylidene-hexanoate Methyl 6-[4-[11-[4-(6-methoxy-6-oxo-hexanoyl)phenyl]undecyl]phenyl]-6-oxo-hexanoate
Wiley ID 785643