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5,5-Dibutyl-2-phenyl-1,3-dioxane
SpectraBase Compound ID BwX8UtxjKqM
InChI InChI=1S/C18H28O2/c1-3-5-12-18(13-6-4-2)14-19-17(20-15-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey YMEDLCQGXDNEAD-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55FJdV50WO
Name 5,5-Dibutyl-2-phenyl-1,3-dioxane
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-3-5-12-18(13-6-4-2)14-19-17(20-15-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey YMEDLCQGXDNEAD-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.jmedchem.0c01589
Molecular Weight 276.420 g/mol
SMILES C(CCC)C1(COC(OC1)c1ccccc1)CCCC
SPLASH splash10-0a6r-6690000000-d490d1287b1d51a2de8d
Source of Spectrum AF-63-13151-5a
Wiley ID 1879446