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2-(4-Phenylbut-3-yn-1-yl)-1,3-dioxane
SpectraBase Compound ID 4p2sPtpEWls
InChI InChI=1S/C14H16O2/c1-2-7-13(8-3-1)9-4-5-10-14-15-11-6-12-16-14/h1-3,7-8,14H,5-6,10-12H2
InChIKey IXQHWCLUOBCGER-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf0uox8t3W8
Name 2-(4-Phenylbut-3-yn-1-yl)-1,3-dioxane
Appearance Colorless oil
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Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-2-7-13(8-3-1)9-4-5-10-14-15-11-6-12-16-14/h1-3,7-8,14H,5-6,10-12H2
InChIKey IXQHWCLUOBCGER-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 216.280 g/mol
Reported Formula C14H16O2
SMILES C1(OCCCO1)CCC#Cc1ccccc1
SPLASH splash10-004i-0900000000-0bb4f15fe8654232c8c7
Source of Spectrum ACI-59-SM33-5a
Wiley ID 1857671