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Methyl 6-oxo-6-[4-(11-phenylundecyl)phenyl]hexanoate
SpectraBase Compound ID r4xAfbQ9aT
InChI InChI=1S/C30H42O3/c1-33-30(32)21-15-14-20-29(31)28-24-22-27(23-25-28)19-11-8-6-4-2-3-5-7-10-16-26-17-12-9-13-18-26/h9,12-13,17-18,22-25H,2-8,10-11,14-16,19-21H2,1H3
InChIKey KEOOLAQCZPVKLB-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C30H42O3
Exact Mass 450.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60mcis8rXV0
Name Methyl 6-oxo-6-[4-(11-phenylundecyl)phenyl]hexanoate
Alternate Name(s) 6-keto-6-[4-(11-phenylundecyl)phenyl]hexanoic acid methyl ester 6-Oxo-6-[4-(11-phenylundecyl)phenyl]hexanoic acid methyl ester Methyl 6-oxidanylidene-6-[4-(11-phenylundecyl)phenyl]hexanoate
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Formula C30H42O3
InChI InChI=1S/C30H42O3/c1-33-30(32)21-15-14-20-29(31)28-24-22-27(23-25-28)19-11-8-6-4-2-3-5-7-10-16-26-17-12-9-13-18-26/h9,12-13,17-18,22-25H,2-8,10-11,14-16,19-21H2,1H3
InChIKey KEOOLAQCZPVKLB-UHFFFAOYSA-N
Molecular Weight 450.663 g/mol
SMILES C(=O)(OC)CCCCC(c1ccc(cc1)CCCCCCCCCCCc1ccccc1)=O
SPLASH splash10-0006-9655200000-45492712e5ad0b1ab8e8
Source of Spectrum KC-0-1148-35
Wiley ID 785644