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3-[5-(Ethoxyethoxy)-5-methylhexyl]-2,4-dimethylcyclohexyl]ethanone isomer
SpectraBase Compound ID LXw2JSe6brL
InChI InChI=1S/C21H40O3/c1-7-23-14-15-24-21(5,6)13-9-8-10-19-16(2)11-12-20(17(19)3)18(4)22/h16-17,19-20H,7-15H2,1-6H3
InChIKey XGEIBJDFRBZAEC-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C21H40O3
Exact Mass 340.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLYxkHw5ziy
Name 3-[5-(Ethoxyethoxy)-5-methylhexyl]-2,4-dimethylcyclohexyl]ethanone isomer
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Formula C21H40O3
InChI InChI=1S/C21H40O3/c1-7-23-14-15-24-21(5,6)13-9-8-10-19-16(2)11-12-20(17(19)3)18(4)22/h16-17,19-20H,7-15H2,1-6H3
InChIKey XGEIBJDFRBZAEC-UHFFFAOYSA-N
Molecular Weight 340.548 g/mol
SMILES C1(C(CCC(C1CCCCC(OCCOCC)(C)C)C)C(=O)C)C
SPLASH splash10-0006-9110000000-38b4b4ec0b6ea2e263fa
Source of Spectrum QE-7-530-21
Wiley ID 845299