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2-(4-Ethynylphenyl)-1,3-dioxane
SpectraBase Compound ID 8lhBS3Yf4QX
InChI InChI=1S/C12H12O2/c1-2-10-4-6-11(7-5-10)12-13-8-3-9-14-12/h1,4-7,12H,3,8-9H2
InChIKey CTPUOIOIVOKZLQ-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jm7O5ktMm
Name 2-(4-Ethynylphenyl)-1,3-dioxane
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-2-10-4-6-11(7-5-10)12-13-8-3-9-14-12/h1,4-7,12H,3,8-9H2
InChIKey CTPUOIOIVOKZLQ-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 188.226 g/mol
Quality 122
SMILES C(#C)C1=CC=C(C=C1)C1OCCCO1
SPLASH splash10-002r-0900000000-e23b5eb5213ad53a0ada
Source of Spectrum QE-29-SM23-2an (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.67 (PE/EtOAc, 8:2)
Wiley ID 1910276