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2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
SpectraBase Compound ID Ibqdq8t1bzE
InChI InChI=1S/C20H26O5/c1-5-24-17-8-7-13(10-18(17)25-6-2)9-14(21)19-15(22)11-20(3,4)12-16(19)23/h7-8,10,19H,5-6,9,11-12H2,1-4H3
InChIKey QQRDZDUHKQDNON-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5Fljd2ekX9
Name 2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Alternate Name(s) 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-cyclohexane-1,3-dione
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Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-5-24-17-8-7-13(10-18(17)25-6-2)9-14(21)19-15(22)11-20(3,4)12-16(19)23/h7-8,10,19H,5-6,9,11-12H2,1-4H3
InChIKey QQRDZDUHKQDNON-UHFFFAOYSA-N
Molecular Weight 346.423 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)C(Cc1cc(OCC)c(cc1)OCC)=O
SPLASH splash10-00sl-9600000000-670f392cbef1493b0385
Wiley ID 1512039