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1-(1"-Acetyloxy-4"-oxocyclohexa-2",5"-dienyl)-4-(3',4'-dimethoxyphenyl)butane
SpectraBase Compound ID KttHk8t9DUX
InChI InChI=1S/C20H24O5/c1-15(21)25-20(12-9-17(22)10-13-20)11-5-4-6-16-7-8-18(23-2)19(14-16)24-3/h7-10,12-14H,4-6,11H2,1-3H3
InChIKey XZXIVQZBKUMDAL-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ0D0RpD0oJ
Name 1-(1"-Acetyloxy-4"-oxocyclohexa-2",5"-dienyl)-4-(3',4'-dimethoxyphenyl)butane
Alternate Name(s) 1-(1''-Acetylamino-4''-oxocyclohexa-2'',5''-dienyl)-4-(3',4'-dimethoxyphenyl)butane 1-(1''-Acetylamino-4''-oxocyclohexa-2'',5''-dienyl)-4-(3',4'-dimethoxyphenyl)butane 1-(1''-Acetyloxy-4''-oxocyclohexa-2'',5''-dienyl)-4-(3',4'-dimethoxyphenyl)butane 1-[4-(3,4-dimethoxyphenyl)butyl]-4-oxo-2,5-cyclohexadien-1-yl acetate
Comments Less than 3 mono-isotopic peaks
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Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-15(21)25-20(12-9-17(22)10-13-20)11-5-4-6-16-7-8-18(23-2)19(14-16)24-3/h7-10,12-14H,4-6,11H2,1-3H3
InChIKey XZXIVQZBKUMDAL-UHFFFAOYSA-N
Molecular Weight 344.407 g/mol
SMILES C1(C=CC(C=C1)=O)(OC(=O)C)CCCCc1cc(OC)c(cc1)OC
SPLASH splash10-0udi-0901000000-a6e6a448eb7f4d3e3411
Source of Spectrum F-52-1327-15
Wiley ID 794866