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Methyl 1-[2'-(3''-methoxy-5''-methylphenyl)ethyl]-4-oxo-1,4-dihydrobenzoate
SpectraBase Compound ID JPkehd3YntA
InChI InChI=1S/C18H20O4/c1-13-10-14(12-16(11-13)21-2)4-7-18(17(20)22-3)8-5-15(19)6-9-18/h5-6,8-12H,4,7H2,1-3H3
InChIKey ULSZAAHZRUBRQW-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6ZRcwqwL8C
Name Methyl 1-[2'-(3''-methoxy-5''-methylphenyl)ethyl]-4-oxo-1,4-dihydrobenzoate
Alternate Name(s) Methyl 1-[2-(3-methoxy-5-methylphenyl)ethyl]-4-oxo-2,5-cyclohexadiene-1-carboxylate
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Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-13-10-14(12-16(11-13)21-2)4-7-18(17(20)22-3)8-5-15(19)6-9-18/h5-6,8-12H,4,7H2,1-3H3
InChIKey ULSZAAHZRUBRQW-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES C1(C(=O)OC)(C=CC(C=C1)=O)CCc1cc(OC)cc(c1)C
SPLASH splash10-0002-1901000000-7f286b85d438d6b5f31e
Source of Spectrum B-52-1100-11
Wiley ID 746859