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4-(Phenylethynyl)phenylethanone
SpectraBase Compound ID 445mE6mzt7L
InChI InChI=1S/C16H12O/c17-13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,13H,12H2
InChIKey AZONPSOFBDRKBP-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C16H12O
Exact Mass 220.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUreyvzm17Y
Name 4-(Phenylethynyl)phenylethanone
Alternate Name(s) (4-Phenylethynyl-phenyl)-acetaldehyde 1-[4'-[2''-Phenylethynyl)phenyl]ethanone 2-[4-(2-Phenylethynyl)phenyl]ethanal
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Formula C16H12O
InChI InChI=1S/C16H12O/c17-13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,13H,12H2
InChIKey AZONPSOFBDRKBP-UHFFFAOYSA-N
Molecular Weight 220.271 g/mol
SMILES C(#Cc1ccccc1)c1ccc(cc1)CC=O
SPLASH splash10-0ab9-1390000000-acd4f44c06ae91c31ffa
Source of Spectrum F-68-4878-3d
Wiley ID 1708966