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METHYL-2-OXO-2'-[4-(7-PHENYLHEPTYL)-PHENYL]-ETHANOATE
SpectraBase Compound ID 5ktuTWieMYm
InChI InChI=1S/C22H26O3/c1-25-22(24)21(23)20-16-14-19(15-17-20)13-7-4-2-3-6-10-18-11-8-5-9-12-18/h5,8-9,11-12,14-17H,2-4,6-7,10,13H2,1H3
InChIKey VSPUNIAOYORGID-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JBwZUn3soI
Name 2-keto-2-[4-(7-phenylheptyl)phenyl]acetic acid methyl ester
Alternate Name(s) 2-Oxo-2-[4-(7-phenylheptyl)phenyl]acetic acid methyl ester Methyl 2-oxidanylidene-2-[4-(7-phenylheptyl)phenyl]ethanoate Methyl 2-oxo-2-[4-(7-phenylheptyl)phenyl]acetate
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Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-25-22(24)21(23)20-16-14-19(15-17-20)13-7-4-2-3-6-10-18-11-8-5-9-12-18/h5,8-9,11-12,14-17H,2-4,6-7,10,13H2,1H3
InChIKey VSPUNIAOYORGID-UHFFFAOYSA-N
Molecular Weight 338.447 g/mol
SMILES C(C(=O)OC)(c1ccc(cc1)CCCCCCCc1ccccc1)=O
SPLASH splash10-003u-3292000000-747e5b9e49023e7b7993
Source of Spectrum KC-0-1146-21
Wiley ID 785656