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2-Cyclohexyl-5,5-dimethyl-1,3-dioxane
SpectraBase Compound ID 5RiuBJOGngL
InChI InChI=1S/C12H22O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKey XSHBAKXCTRIMJB-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbgRdLIAdDi
Name 2-Cyclohexyl-5,5-dimethyl-1,3-dioxane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKey XSHBAKXCTRIMJB-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 198.306 g/mol
Quality 193
SMILES C1(CCCCC1)C1OCC(CO1)(C)C
SPLASH splash10-014i-7900000000-7d524765197dd88550cb
Source of Spectrum QE-29-SM21-2ah (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.81 (PE/Et2O, 9:1)
Wiley ID 1910271