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2,5,5-Trimethyl-2-phenyl-1,3-dioxane
SpectraBase Compound ID Iq6oIqliZAZ
InChI InChI=1S/C13H18O2/c1-12(2)9-14-13(3,15-10-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey AALXTPRRKXUUOM-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRrcr1eSZ2d
Name 2,5,5-Trimethyl-2-phenyl-1,3-dioxane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-12(2)9-14-13(3,15-10-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey AALXTPRRKXUUOM-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 206.285 g/mol
Quality 200
SMILES CC1(COC(OC1)(C1=CC=CC=C1)C)C
SPLASH splash10-054o-3900000000-566b9479f5344940f66c
Source of Spectrum QE-29-SM24-2aq (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.35 (PE/EtOAc, 9:1)
Wiley ID 1910279