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1-(3-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl)ethanone
SpectraBase Compound ID BakYmLuyngI
InChI InChI=1S/C14H18O3/c1-10(15)11-5-4-6-12(7-11)13-16-8-14(2,3)9-17-13/h4-7,13H,8-9H2,1-3H3
InChIKey YHXIWKLNBNWXQH-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FBrQCQe80
Name 1-(3-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl)ethanone
Appearance Colorless oil
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Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-10(15)11-5-4-6-12(7-11)13-16-8-14(2,3)9-17-13/h4-7,13H,8-9H2,1-3H3
InChIKey YHXIWKLNBNWXQH-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 234.295 g/mol
Quality 189
Reported Formula C14H18O3
SMILES CC1(COC(OC1)C=1C=C(C=CC1)C(C)=O)C
SPLASH splash10-0002-3920000000-0639851e9b4999139165
Source of Spectrum QE-29-SM14-2m (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.18 (PE/Et2O, 8:2)
Wiley ID 1910296