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METHYL-1-[2'-(3''-METHOXY-5''-METHYLPHENYL)-ETHYL]-1,4-DIDYDROBENZOATE
SpectraBase Compound ID BK36dk3gTgZ
InChI InChI=1S/C18H22O3/c1-14-11-15(13-16(12-14)20-2)7-10-18(17(19)21-3)8-5-4-6-9-18/h5-6,8-9,11-13H,4,7,10H2,1-3H3
InChIKey ZKSYVFXOHZOUQX-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHBeJ50QXik
Name Methyl 1-[2'-(3''-methoxy-5''-methylphenyl)ethyl]-1,4-dihydrobenzoate
Alternate Name(s) Methyl 1-[2-(3-methoxy-5-methylphenyl)ethyl]-2,5-cyclohexadiene-1-carboxylate
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-14-11-15(13-16(12-14)20-2)7-10-18(17(19)21-3)8-5-4-6-9-18/h5-6,8-9,11-13H,4,7,10H2,1-3H3
InChIKey ZKSYVFXOHZOUQX-UHFFFAOYSA-N
Molecular Weight 286.371 g/mol
SMILES C1(C(=O)OC)(C=CCC=C1)CCc1cc(OC)cc(c1)C
SPLASH splash10-0zg0-1920000000-e3e036bb198cefc1dbcd
Source of Spectrum B-52-1100-0
Wiley ID 746860