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2-(Phenylethynyl)bicyclo[3.2.1]oct-2-ene-8-one
SpectraBase Compound ID AdP5N8xNyJP
InChI InChI=1S/C16H14O/c17-16-14-9-8-13(15(16)11-10-14)7-6-12-4-2-1-3-5-12/h1-5,8,14-15H,9-11H2/t14-,15-/m1/s1
InChIKey FNRGFSTVBNANBY-HUUCEWRRSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ8MDOKu2y5
Name 2-(Phenylethynyl)bicyclo[3.2.1]oct-2-ene-8-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H14O
InChI InChI=1S/C16H14O/c17-16-14-9-8-13(15(16)11-10-14)7-6-12-4-2-1-3-5-12/h1-5,8,14-15H,9-11H2/t14-,15-/m1/s1
InChIKey FNRGFSTVBNANBY-HUUCEWRRSA-N
Molecular Weight 222.287 g/mol
SMILES [C@]12(C(=CC[C@](CC2)(C1=O)[H])C#Cc1ccccc1)[H]
SPLASH splash10-00di-0290000000-fcaa858fb9810693ebb7
Source of Spectrum SO-0-590-10
Synonyms 2-(phenylethynyl)bicyclo[3.2.1]oct-2-en-8-one 4-(2-phenylethynyl)-8-bicyclo[3.2.1]oct-3-enone
Wiley ID 1545731