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METHYL-5-[4-(9-[4-(4-METHOXYSUCCINYL)-PHENYL]-NONYL)-PHENYL]-5-OXOPENTANOATE
SpectraBase Compound ID BnWtZeRM6wV
InChI InChI=1S/C32H42O6/c1-37-31(35)14-10-13-29(33)27-19-15-25(16-20-27)11-8-6-4-3-5-7-9-12-26-17-21-28(22-18-26)30(34)23-24-32(36)38-2/h15-22H,3-14,23-24H2,1-2H3
InChIKey KOIOPEJXBQHQDO-UHFFFAOYSA-N
Mol Weight 522.7 g/mol
Molecular Formula C32H42O6
Exact Mass 522.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDDtycBPKuU
Name 5-keto-5-[4-[9-[4-(4-keto-4-methoxy-butanoyl)phenyl]nonyl]phenyl]valeric acid methyl ester
Alternate Name(s) 5-[4-[9-[4-(4-methoxy-1,4-dioxobutyl)phenyl]nonyl]phenyl]-5-oxopentanoic acid methyl ester Methyl 5-[4-[9-[4-(4-methoxy-4-oxidanylidene-butanoyl)phenyl]nonyl]phenyl]-5-oxidanylidene-pentanoate Methyl 5-[4-[9-[4-(4-methoxy-4-oxo-butanoyl)phenyl]nonyl]phenyl]-5-oxo-pentanoate
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Formula C32H42O6
InChI InChI=1S/C32H42O6/c1-37-31(35)14-10-13-29(33)27-19-15-25(16-20-27)11-8-6-4-3-5-7-9-12-26-17-21-28(22-18-26)30(34)23-24-32(36)38-2/h15-22H,3-14,23-24H2,1-2H3
InChIKey KOIOPEJXBQHQDO-UHFFFAOYSA-N
Molecular Weight 522.682 g/mol
SMILES C(c1ccc(cc1)CCCCCCCCCc1ccc(C(=O)CCCC(=O)OC)cc1)(=O)CCC(=O)OC
SPLASH splash10-014i-1902210000-5f88507ffdc989e430e7
Source of Spectrum KC-0-1147-30
Wiley ID 785649