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3-(1,3-Dioxan-2-yl)-1-phenylpropan-1-one
SpectraBase Compound ID Gu01XEyNcXE
InChI InChI=1S/C13H16O3/c14-12(11-5-2-1-3-6-11)7-8-13-15-9-4-10-16-13/h1-3,5-6,13H,4,7-10H2
InChIKey BMMLPRAKMUDLCT-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCgtyTlEVaW
Name 3-(1,3-Dioxan-2-yl)-1-phenylpropan-1-one
Appearance Colorless oil
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c14-12(11-5-2-1-3-6-11)7-8-13-15-9-4-10-16-13/h1-3,5-6,13H,4,7-10H2
InChIKey BMMLPRAKMUDLCT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200907
Molecular Weight 220.268 g/mol
Reported Formula C13H16O3
SMILES C1(OCCCO1)CCC(=O)c1ccccc1
SPLASH splash10-0pvl-1900000000-8e7067ebce66b7669d41
Source of Spectrum ASC-364-SM21-14b
Wiley ID 1877472