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2-(3-Methoxyphenyl)-5,5-dimethyl-1,3-dioxane
SpectraBase Compound ID FO4tJIjBEFT
InChI InChI=1S/C13H18O3/c1-13(2)8-15-12(16-9-13)10-5-4-6-11(7-10)14-3/h4-7,12H,8-9H2,1-3H3
InChIKey CWXCFRFSBYKNKM-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cgj8gjveax
Name 2-(3-Methoxyphenyl)-5,5-dimethyl-1,3-dioxane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2)8-15-12(16-9-13)10-5-4-6-11(7-10)14-3/h4-7,12H,8-9H2,1-3H3
InChIKey CWXCFRFSBYKNKM-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 222.284 g/mol
Quality 143
SMILES COC=1C=C(C=CC1)C1OCC(CO1)(C)C
SPLASH splash10-0079-1960000000-78cc200f8916bc58287d
Source of Spectrum QE-29-SM17-2t (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.40 (PE/EtOAc, 95:5)
Wiley ID 1910300