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1-[2-(2-phenylethynyl)-1-cyclopentenyl]propane-1,2-dione
SpectraBase Compound ID 6I8jqYMGPlG
InChI InChI=1S/C16H14O2/c1-12(17)16(18)15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-9H2,1H3
InChIKey OSRFTXMYQRSXCU-UHFFFAOYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8buzhzPmReP
Name 1-[2-(2-phenylethynyl)-1-cyclopentenyl]propane-1,2-dione
Alternate Name(s) 1-[2-(2-phenylethynyl)cyclopenten-1-yl]propane-1,2-dione
Comments Less than 3 mono-isotopic peaks
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Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-12(17)16(18)15-9-5-8-14(15)11-10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-9H2,1H3
InChIKey OSRFTXMYQRSXCU-UHFFFAOYSA-N
Molecular Weight 238.286 g/mol
SMILES C1(C(C(=O)C)=O)=C(C#Cc2ccccc2)CCC1
SPLASH splash10-0002-0900000000-e13359b00d97cf999a8e
Source of Spectrum C-117-10644-36
Wiley ID 759133