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3-phenacyl-2-oxanone
SpectraBase Compound ID IjSBIc4Zqrb
InChI InChI=1S/C13H14O3/c14-12(10-5-2-1-3-6-10)9-11-7-4-8-16-13(11)15/h1-3,5-6,11H,4,7-9H2
InChIKey UNZLQQXFVCBUDW-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gkt9qAVqjwt
Name 3-phenacyl-2-oxanone
Alternate Name(s) 3-phenacyloxan-2-one 3-phenacyltetrahydropyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-12(10-5-2-1-3-6-10)9-11-7-4-8-16-13(11)15/h1-3,5-6,11H,4,7-9H2
InChIKey UNZLQQXFVCBUDW-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(C(CCCO1)CC(c1ccccc1)=O)=O
SPLASH splash10-0a4i-0900000000-16614e49ca54260f8045
Source of Spectrum E1-37-3530-24
Wiley ID 1575321